0 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 BCP13684 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [0,1,0,0,0,0|2,0,1]=4 3 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [0,1,0,0,0,0|2,0,0]=3 4 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.107 O=[N+](CC(C1=CC=CC=C1)=O)[O-] BCP06401 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,1,0|1,0,0]=2 15 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,1,0|2,0,0]=3 16 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,1,0|2,0,0]=3 17 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,1,0|1,0,0]=2 18 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,1,0|1,0,0]=2 19 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,0,0,0,1,0|1,0,0]=2 20 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [0,0,0,0,1,0|1,1,0]=3 21 B10R1.66 O=C(O)CCC1=CSC=C1 BCP20489 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.66 OC(=O)CCn1cncc1 BCP11410 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,0,0,0,0,1|1,0,0]=2 24 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.1 ClC1=CC=C(OCCO)C=C1 BCP11228 [1,1,0,0,0,0|0,0,1]=3 26 B11R1.17 BrC1=CC=CC=C1\C=C\C=O BCP04224 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [1,1,0,0,0,0|0,0,1]=3 28 B11R1.28 C1=C(CCCCO)C=CC=C1 BCP16469 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [1,1,0,0,0,0|0,0,1]=3 30 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,1,0,0,1,0|1,0,0]=3 33 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,1,0|0,0,0]=2 34 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,1,0,0,1,0|0,0,1]=3 35 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,1,0,0,1,0|0,0,1]=3 36 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,1,0,0,1,0|1,0,0]=3 37 B13R1.45 O=C(CCC(O)=O)C1=CC=CC=C1 BCP09655 [0,1,0,0,0,1|1,0,0]=3 38 B13R1.351 O=C(O)[C](N)CCC1=CC=CC=C1 BCP11593 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.513 BrC1=CC=C(CCCC(O)=O)C=C1 BCP10703 [0,1,0,0,0,1|1,0,0]=3 40 B13R1.513 CC1=CC=C(CCCC(O)=O)C=C1 BCP10709 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.513 ClC1=CC=C(CCCC(O)=O)C=C1 BCP10717 [0,1,0,0,0,1|1,0,0]=3 42 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 BCP04527 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 BCP20322 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.132 O=C(O)CC(N)C1=CC=C(F)C=C1 BCP11675 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O BCP14311 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.133 N[C@@H](CC1=CC=C(C)C=C1)C(O)=O BCP11552 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.133 N[C](CC1=CC=C(Br)C=C1)C(O)=O BCP17905 [0,2,0,0,0,0|1,0,1]=4 48 B13R1.133 N[C](CC1=CC=C(N)C=C1)C(O)=O BCP11627 [0,2,0,0,0,0|1,0,1]=4 49 B13R1.133 O=C(O)[C](N)CC1=CC=C(F)C=C1 BCP11609 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 BCP17762 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.133 OC([C@@H](N)CC1=CC=C(O)C=C1)=O BCP06988 [0,2,0,0,0,0|1,0,0]=3 52 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl BCP17337 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.11 O=C(C[C@@H](C1=CC=CC=C1)N)OC BCP13915 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 BCP09559 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O BCP12913 [0,2,0,0,0,0|1,0,0]=3 56 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O BCP11706 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.148 O=C(O)[C](N)CC1=CC=CC(Cl)=C1 BCP11546 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.152 O=C(O)[C](O)[C@@H](N)C1=CC=CC=C1 BCP22941 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.147 N[C](CC(O)=O)C1=CC(C)=CC=C1 BCP11619 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.147 O=C(O)C[C](N)C1=CC=CC(F)=C1 BCP11741 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.201 N[C@@H](CC(O)=O)C1=C(Cl)C=CC=C1 BCP10515 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.201 O=C(O)C[C](N)C1=CC=CC=C1F BCP11584 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.713 O=C(O)CC(CN)C1=CC=CC=C1 BCP10710 [0,2,0,0,0,0|1,0,0]=3 64 B13R1.3787 CC1=C(OCC(O)=O)C(C)=CC=C1 BCP12802 [0,2,0,0,0,0|0,0,0]=2 65 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.1 O=C1COc2c1cccc2 BCP07835 [1,0,0,1,0,0|0,0,0]=2 67 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,0,0,1,1,0|2,0,0]=4 68 B11R2.10 O=C1NC=2C=CC=CC2N1 BCP18291 [0,0,0,1,1,0|2,0,0]=4 69 B11R2.10 O=C1OC2=CC=CN=C2N1 BCP10943 [0,0,0,1,1,0|2,0,0]=4 70 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 BCP05253 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.10 O=C1OC[C](C2=CC=CC=C2)N1 BCP18925 [0,0,0,1,0,1|2,0,0]=4 72 B13R2.423 O=C([C]1[C](C2=CC=CC=C2)C1)O BCP15494 [0,0,0,1,0,1|1,0,0]=3 73 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CC1 BCP11493 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C]1O BCP13724 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.369 NC1=CC=2C=CC=CC2OC1=O BCP20024 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.369 O=C1NC2=NC=CC=C2OC1C BCP19244 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.435 OC(C1=CC=2C=CC=CC2N1)=O BCP00082 [0,1,0,1,0,0|1,0,1]=4 78 B13R2.5179 OC1=CC=CC=2NC(CCC21)=O BCP13339 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.3683 O=C1NC2=NC=C(Br)C=C2OC1 BCP17650 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,2,0|2,0,0]=4 81 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,2,0|1,0,0]=3 82 B9R1.13 O=C(O)CC1=CN=CN1 BCP18582 [0,0,0,0,2,0|2,0,0]=4 83 B9R1.13 O=C(O)CN1C=CN=C1 BCP18186 [0,0,0,0,2,0|2,0,0]=4