0 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 CS-0038040 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 O=C(O)C1=CC2=C(C=CO2)S1 CS-0262123 [0,0,0,0,0,0|2,1,0]=3 2 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 CS-0371842 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 CS-0700907 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 CS-W006813 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 CS-0315401 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.400 CC1=CC2=C(C=C(C(=O)O)S2)S1 CS-0232462 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.400 CC1=CN2C=C(C(=O)O)SC2=N1 CS-0222953 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.400 CC1=NC2=C(NC(C(=O)O)=C2)S1 CS-0263451 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.400 NC1=NC2=C(C=C(C(=O)O)S2)S1 CS-0436005 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 CS-0080386 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 CS-0309231 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)S1 CS-0234637 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.400 O=C(O)C1=CC2=C(N1)SC(Br)=C2 CS-0216760 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)N1 CS-0055847 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)S1 CS-0319574 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 CS-0123146 [0,1,0,0,0,0|1,1,0]=3 17 B11R1.35 C=C(CN1C=CC=N1)C(=O)O CS-0245579 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.35 NC(CC1=CN=CS1)C(=O)O CS-0059729 [0,0,1,0,0,0|0,0,2]=3 19 B11R1.35 NC(CC1=CSC=N1)C(=O)O CS-0446943 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.35 O=C(O)C(=O)CC1=CSC=C1 CS-0232150 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.48 CSC1=C(C)OC(C(=O)O)=C1 CS-0261061 [0,0,1,0,0,0|2,0,1]=4 22 B13R2.430 CC(=O)C1=CC2=C(C=CS2)C=C1 CS-0662003 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 CC(=O)C1=CC=C2N=CSC2=C1 CS-0005566 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.430 CC(=O)C1=CC=C2NC=NC2=C1 CS-0238459 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 CS-0043173 [0,0,0,0,0,1|0,0,1]=2 26 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=N2 CS-0116668 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.430 O=C(O)C1=CC=C2SC=CC2=N1 CS-0148803 [0,0,0,0,0,1|1,0,1]=3 28 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 CS-0183268 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 CS-0143251 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 O=C(O)C1=CN=C2C=CNC2=N1 CS-0091819 [0,0,0,0,0,1|1,0,2]=4 31 B13R2.430 O=C(O)C1=CN=C2NN=NC2=C1 CS-0225652 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 O=C(O)C1=CN=C2OC=CC2=C1 CS-0236623 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.430 O=C(O)[C@H]1CC2=C(CN1)N=CN2 CS-0722162 [0,0,0,0,0,1|1,0,2]=4 34 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 CS-0084794 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 CS-0183258 [0,0,0,0,0,1|1,0,0]=2 36 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 CS-0489334 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=CC=CC=C2C1 CS-0211365 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=CC2=CN=CC=C2S1 CS-0082386 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 CS-0046689 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 CS-0054776 [0,0,0,0,0,1|1,0,0]=2 41 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 CS-0057604 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 CS-0172718 [0,0,0,0,0,1|1,0,2]=4 43 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 CS-0178845 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.66 O=C(O)\C=C\C1=CNN=C1 CS-0462992 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)N1 CS-0248800 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.145 CC1=C(CC(N)C(=O)O)SC=N1 CS-0512173 [0,1,1,0,0,0|0,0,2]=4 47 B14R2.601 CC(=O)C1=CC=C2N=C(N)SC2=C1 CS-0099925 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.601 CC1=NC2=CC(C(=O)O)=CN=C2S1 CS-0260178 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 CS-0073883 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.601 O=C(O)C1=CC=C2SC(Cl)=NC2=C1 CS-WAA0078 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.624 CC1=CC2=C(C=C1C(=O)O)NC=N2 CS-0440107 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CN=C2N1 CS-0443252 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.624 O=C(O)C1=C(Cl)N=C2C=CSC2=C1 CS-0310903 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.624 O=C(O)C1=C(F)C=C2C=CN=C2N1 CS-0443454 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 CS-0147214 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.966 COC(=O)C1=CN=C2SC=CC2=C1 CS-0055853 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.8824 O=C(O)C1=CC2=C(SC=C2)C(=O)N1 CS-0222519 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=N2 CS-0234730 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.450 NC1=C(C(=O)O)SC2=NC=NC=C21 CS-0454129 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 CS-0084894 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.450 O=C(O)C1=C(Cl)C2=NC=CN=C2S1 CS-0163536 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.972 COC(=O)C1=CC2=C(C=NC=N2)S1 CS-0960570 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.972 COC(=O)C1=CC2=CN=CN=C2N1 CS-0054633 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 CS-D0493 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 CS-0050169 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050442 [0,1,0,0,0,1|1,0,0]=3 67 B14R2.4529 O=C(O)C1=CC2=C(C=CC(I)=C2)N1 CS-0224488 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 CS-0050310 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 CS-0050234 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=NC=C1 CS-0172080 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Br)N1 CS-0041608 [0,1,0,0,0,1|1,0,0]=3 72 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 CS-0216290 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 CS-0070999 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)S2)N1 CS-0078997 [0,2,0,0,0,0|1,0,0]=3 75 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)S2)N1 CS-0080387 [0,2,0,0,0,0|1,0,0]=3 76 B14R2.10815 COC(=O)C1=CC2=C(C=C(Cl)S2)N1 CS-0080388 [0,2,0,0,0,0|1,0,0]=3 77 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(C)=N2 CS-0263450 [0,2,0,0,0,0|2,0,0]=4 78 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(Cl)=C2 CS-0263454 [0,2,0,0,0,0|2,0,0]=4 79 B14R2.4281 O=CC1=C(C(=O)O)NC2=C1SC=C2 CS-0464058 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.23 CC(C(=O)O)C1=CN=CS1 CS-0223113 [0,0,1,0,1,0|1,0,1]=4 81 B10R1.23 NC(C(=O)O)C1=CN=CN1 CS-0568999 [0,0,1,0,1,0|1,0,1]=4 82 B10R1.23 O=C(O)C(=O)C1=CC=CS1 CS-0204912 [0,0,1,0,1,0|2,0,0]=4 83 B10R1.64 CC1=C(CC(=O)O)SC=N1 CS-0308286 [0,0,1,0,1,0|1,0,1]=4 84 B12R1.125 O=C(O)\C=C\C1=C(F)C=NC=C1 CS-0779184 [0,0,1,0,0,1|2,0,0]=4 85 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 CS-0075252 [0,0,1,0,0,1|2,0,0]=4 86 B12R1.113 CC\N=C1\C=CC(C(=O)O)=CN1 CS-0298170 [0,0,1,0,0,1|1,0,1]=4 87 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 CS-0215135 [1,0,0,0,0,1|2,0,0]=4 88 B12R2.32 O=CC1=CC2=C(N=CC=N2)S1 CS-0368283 [1,0,0,0,0,1|2,0,0]=4 89 B12R2.32 O=CC1=CC2=NC=CN=C2N1 CS-0777483 [1,0,0,0,0,1|1,0,0]=3 90 B12R2.32 OCC1=CC2=CN=CN=C2N1 CS-0056499 [1,0,0,0,0,1|1,0,1]=4 91 B14R2.781 O=C(O)C1=CC2=C(C=CC=N2)N=C1 CS-0155782 [0,0,0,0,0,2|2,0,0]=4 92 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=N1 CS-0652238 [0,0,0,0,0,2|2,0,0]=4 93 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 CS-0052127 [0,0,0,0,0,2|1,0,1]=4 94 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=N1 CS-0070506 [0,0,0,0,0,2|1,0,1]=4 95 B14R2.781 O=C(O)C1=CN=C2N=CC=CC2=C1 CS-0155669 [0,0,0,0,0,2|1,0,1]=4 96 B14R2.781 O=C(O)C1=CNC2=NCCCC2=C1 CS-0259949 [0,0,0,0,0,2|1,0,1]=4 97 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 CS-0450933 [0,0,0,0,0,2|1,0,1]=4 98 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=N2 CS-0308142 [0,0,0,0,0,2|1,1,0]=4