0 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 CC(=O)C1=CNN=C1 BCP18458 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.7 N=C(N1C=CC=N1)N BCP06425 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 O=[N+]([O-])C1=NNC=C1 BCP10030 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 OB(C1=CC=NN1)O BCP11804 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,0,0|0,0,1]=2 15 B7R1.1 ClCC1=CN=CN1 BCP14266 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 O=CC1=CC=CN1 BCP13856 [1,0,0,0,0,0|0,0,0]=1 17 B7R1.1 O=CC1=CNC=C1 BCP05260 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.1 O=CC1=CNC=N1 BCP04813 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 O=CC1=CSC=N1 BCP07009 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.11 CNC(=O)c1cn[nH]c1 BCP28948 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.11 O=C(C1=CNC=C1)OC BCP08156 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.11 O=C(CBr)C1=NC=CS1 BCP07589 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.41 BrC1=CSC=C1C(O)=O BCP07136 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.41 CN1C(C(Cl)=O)=CN=C1 BCP13036 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.41 CN1C(C(O)=O)=CN=C1 BCP15504 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.41 O=C(N)C1=CC=CN1N BCP13936 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.41 O=C(O)C1=C(Br)SC=C1 BCP08081 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,0,1,0,0,0|1,0,2]=4 36 B9R2.2 C1(C2CC2)=NC=CN1 BCP20522 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.6 N=C(N)C1=NC=CC=N1 BCP08838 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,0,1|1,0,1]=3 39 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,0,1|1,0,1]=3 41 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [0,0,0,0,0,1|0,0,3]=4 42 B9R1.13 O=C(O)CC1=CN=CN1 BCP18582 [0,0,0,0,0,1|2,0,0]=3 43 B6R1.2 CC1=CC=NO1 BCP11243 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 Ic1cnc[nH]1 BCP09637 [2,0,0,0,0,0|2,0,0]=4 45 B6R1.2 O=C1OCC=C1 BCP15247 [2,0,0,0,0,0|1,0,1]=4 46 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.1 BrC1=NC(C=O)=CS1 BCP07081 [1,1,0,0,0,0|1,0,1]=4 48 B8R1.1 Cc1cnc(s1)C=O BCP10107 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,1,0,0,0,0|0,0,0]=2 50 B8R1.8 NCCC1=CN=CN1 BCP16313 [1,1,0,0,0,0|1,0,1]=4 51 B8R1.11 CN1C(C=O)=CC=N1 BCP03858 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [0,1,0,0,0,1|1,0,1]=4 53 B10R1.13 CC(C1=NC=C(Br)C=N1)=O BCP20538 [0,1,0,0,0,1|0,0,1]=3 54 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,1,0,0,0,1|1,0,1]=4 55 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,1,0,0,0,1|0,0,1]=3 56 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,1,0,0,0,1|1,0,1]=4 57 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [0,1,0,0,0,1|0,0,1]=3 60 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,1,0,0,0,1|1,0,0]=3 61 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [0,1,0,0,0,1|1,0,1]=4 62 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [0,1,0,0,0,1|1,0,1]=4 63 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [0,1,0,0,0,1|1,0,1]=4 65 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [0,1,0,0,0,1|1,0,1]=4 66 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [0,1,0,0,0,1|0,0,0]=2 67 B10R1.61 OC(=O)c1ccncc1C BCP06101 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.61 OC1=C(C(N)=O)N=CC=N1 BCP03021 [0,1,0,0,0,1|1,0,1]=4 69 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,1,0,0,0,1|1,0,0]=3 71 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,1,0,0,0,1|0,0,1]=3 75 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,1,0,0,0,1|0,0,1]=3 76 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [0,1,0,0,0,1|1,0,1]=4 80 B10R1.23 OC(=O)C(=O)C1=CC=CO1 BCP12669 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.11 CCOC(C1=NC=CN1)=O BCP18434 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.11 O=C(OCC)C1=CNC=N1 BCP13439 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.14 O=C(OC)C1=CSC(N)=N1 BCP18228 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.149 COC(=O)c1[nH]ccc1Cl BCP07269 [0,2,0,0,0,0|0,0,0]=2 85 B10R1.149 O=C(C1=C(N)N=CS1)OC BCP15212 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.149 O=C(OC)C1=C(N)C=CS1 BCP12607 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [0,0,1,1,0,0|1,0,0]=3 89 B8R1.4 Cc1ccnc(c1)N BCP05096 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [0,0,1,1,0,0|1,0,1]=4 91 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [0,0,1,1,0,0|0,1,1]=4 92 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [0,0,1,1,0,0|1,0,0]=3 93 B8R1.5 CC1=NC=CC=C1F BCP04309 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.5 Cc1nccnc1N BCP04706 [0,0,1,1,0,0|2,0,0]=4 95 B8R1.5 NC1=NC=CC=C1N BCP04951 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [1,0,0,0,0,1|0,0,2]=4 97 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,0,2|1,0,1]=4 98 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,0,2|1,0,0]=3 99 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,0,2|1,0,0]=3 100 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,0,2|2,0,0]=4 101 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,0,2|2,0,0]=4 102 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,0,0,0,0,2|2,0,0]=4