0 B15R2.15371 Brc1cccc(Br)c1NC=2CCCN2 Amb25136674 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.15371 Brc1cccc(Br)c1NC=2NCCN2 Amb24096416 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.15371 Brc1cccc(Br)c1NC=2NCCN2 Amb24103794 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.15371 CC1=CC=CC(=O)N1CC2CCCN2 Amb18284292 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.15371 Cc1[n]ccc(C)c1NC2=NCCS2 Amb25220301 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.15371 Cc1cccc(Br)c1CC=2NCCN2 Amb25033408 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.15371 Cc1cccc(C)c1CC2C=CCN2 Amb25069162 [0,0,0,0,0,0|1,0,2]=3 7 B15R2.15371 Cc1cccc(C)c1CC=2NCCN2 Amb25281292 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.15371 Cc1cccc(C)c1C[n]2ccc[n]2 Amb25789633 [0,0,0,0,0,0|2,0,2]=4 9 B15R2.15371 Cc1cccc(C)c1Cc2c[nH]c[n]2 Amb25117998 [0,0,0,0,0,0|2,0,1]=3 10 B15R2.15371 Cc1cccc(C)c1NC=2CCCN2 Amb25765497 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.15371 Cc1cccc(C)c1NC=2NCCN2 Amb24103887 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.15371 Cc1cccc(C)c1Nc2[n]cco2 Amb24410931 [0,0,0,0,0,0|2,0,2]=4 13 B15R2.15371 Cc1cccc(C)c1\C=C\2/CNCC2 Amb25789336 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.15371 Cc1cccc(Cl)c1NC2=NCCO2 Amb24530501 [0,0,0,0,0,0|3,0,0]=3 15 B15R2.15371 Cc1cccc(Cl)c1NC=2NCCN2 Amb24089592 [0,0,0,0,0,0|2,0,0]=2 16 B15R2.15371 Cc1cccc(Cl)c1NC=2NCCN2 Amb24096492 [0,0,0,0,0,0|2,0,0]=2 17 B15R2.15371 Cc1cccc(Cl)c1NC=2NCCN2 Amb24103795 [0,0,0,0,0,0|2,0,0]=2 18 B15R2.15371 Cc1cccc(Cl)c1\C=C/2\CCCN2 Amb25804142 [0,0,0,0,0,0|2,0,1]=3 19 B15R2.15371 Cc1cccc(F)c1CC2CCCN2 Amb25233274 [0,0,0,0,0,0|2,0,1]=3 20 B15R2.15371 Cc1cccc(F)c1NC2=NCCS2 Amb25108043 [0,0,0,0,0,0|3,0,0]=3 21 B15R2.15371 Cc1cccc(F)c1NC=2CCCN2 Amb24621374 [0,0,0,0,0,0|3,0,0]=3 22 B15R2.15371 Cc1cccc(F)c1NC=2NCCN2 Amb24506720 [0,0,0,0,0,0|2,0,0]=2 23 B15R2.15371 Cc1cccc(N)c1CC2OCCO2 Amb25073251 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.15371 Cc1cccc(N)c1Sc2[nH][n]c[n]2 Amb24364599 [0,0,0,0,0,0|3,0,1]=4 25 B15R2.15371 Cc1cccc(c1Nc2nnns2)C Amb1078800 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.15371 Clc1cccc(Cl)c1CC=2NCCN2 Amb24064916 [0,0,0,0,0,0|2,0,0]=2 27 B15R2.15371 Clc1cccc(Cl)c1CN2CCCN2 Amb24592855 [0,0,0,0,0,0|4,0,0]=4 28 B15R2.15371 Clc1cccc(Cl)c1Cc2nnn[nH]2 Amb17712420 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.15371 Clc1cccc(Cl)c1NC=2NCCN2 Amb19959948 [0,0,0,0,0,0|3,0,0]=3 30 B15R2.15371 Clc1cccc(Cl)c1SC=2NCCN2 Amb24718377 [0,0,0,0,0,0|3,0,0]=3 31 B15R2.15371 Clc1cccc(Cl)c1\N=C/2\CCCN2 Amb22077849 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.15371 Clc1cccc(Cl)c1\N=C\2/CCCN2 Amb19754605 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.15371 Clc1cccc(Cl)c1\N=C\2/NCCO2 Amb24382649 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.15371 Clc1cccc(c1NC2=NCCC2)Cl Amb1286239 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.15371 Fc1cccc(Br)c1NC=2CCCN2 Amb25358291 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.15371 Fc1cccc(Br)c1NC=2NCCN2 Amb24325460 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.15371 Fc1cccc(Cl)c1CC=2NCCN2 Amb18569509 [0,0,0,0,0,0|2,0,0]=2 38 B15R2.15371 Fc1cccc(Cl)c1CN2CCCN2 Amb24624509 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.15371 Fc1cccc(Cl)c1Cc2[nH]cc[n]2 Amb19093398 [0,0,0,0,0,0|2,0,2]=4 40 B15R2.15371 Fc1cccc(F)c1CC2CCCN2 Amb24371452 [0,0,0,0,0,0|3,0,1]=4 41 B15R2.15371 Fc1cccc(F)c1Cc2[nH][n][n][n]2 Amb24350449 [0,0,0,0,0,0|4,0,0]=4 42 B15R2.15371 Fc1cccc(F)c1NC=2CCCN2 Amb25210370 [0,0,0,0,0,0|4,0,0]=4 43 B15R2.15371 Fc1cccc(c1Cc2[nH]nnn2)Cl Amb16722645 [0,0,0,0,0,0|4,0,0]=4 44 B15R2.15371 Fc1cccc(c1NC2=NCCN2)Br Amb17619983 [0,0,0,0,0,0|3,0,0]=3 45 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [1,0,0,0,0,0|2,0,1]=4 46 B14R2.50 Brc1ccccc1CC=2NCCN2 Amb25296599 [1,0,0,0,0,0|1,0,0]=2 47 B14R2.50 Brc1ccccc1Cc2[nH][n]c[n]2 Amb18868950 [1,0,0,0,0,0|2,0,1]=4 48 B14R2.50 Brc1ccccc1Cc2[nH]cc[n]2 Amb18868886 [1,0,0,0,0,0|1,0,2]=4 49 B14R2.50 Brc1ccccc1\N=C\2/CCCN2 Amb19200230 [1,0,0,0,0,0|3,0,0]=4 50 B14R2.50 CN/1C=CC=N\C1=N/C=2NCCN2 Amb25732059 [1,0,0,0,0,0|3,0,0]=4 51 B14R2.50 Cc1[n]cccc1NC2=NCCS2 Amb24435190 [1,0,0,0,0,0|3,0,0]=4 52 B14R2.50 Cc1ccccc1CC2C=CCN2 Amb25280434 [1,0,0,0,0,0|1,0,2]=4 53 B14R2.50 Cc1ccccc1CC2CCCN2 Amb2234652 [1,0,0,0,0,0|1,0,1]=3 54 B14R2.50 Cc1ccccc1CC=2NCCN2 Amb18065544 [1,0,0,0,0,0|0,0,0]=1 55 B14R2.50 Cc1ccccc1Cc2[n][n]co2 Amb24705574 [1,0,0,0,0,0|2,0,1]=4 56 B14R2.50 Cc1ccccc1Cc2[n]cc[s]2 Amb24416545 [1,0,0,0,0,0|1,0,2]=4 57 B14R2.50 Cc1ccccc1Cc2c[nH]c[n]2 Amb25288061 [1,0,0,0,0,0|2,0,1]=4 58 B14R2.50 Cc1ccccc1Cc2cc[nH][n]2 Amb20241560 [1,0,0,0,0,0|2,0,1]=4 59 B14R2.50 Cc1ccccc1Cc2ccc[nH]2 Amb23589957 [1,0,0,0,0,0|1,0,2]=4 60 B14R2.50 Cc1ccccc1Cc2n[nH]nn2 Amb17400435 [1,0,0,0,0,0|2,0,1]=4 61 B14R2.50 Cc1ccccc1NC2=NCCO2 Amb24490227 [1,0,0,0,0,0|2,0,0]=3 62 B14R2.50 Cc1ccccc1NC2=NCCS2 Amb1103908 [1,0,0,0,0,0|2,0,0]=3 63 B14R2.50 Cc1ccccc1NC=2NCCN2 Amb24072045 [1,0,0,0,0,0|1,0,0]=2 64 B14R2.50 Cc1cccnc1CC2CCCN2 Amb2235412 [1,0,0,0,0,0|2,0,1]=4 65 B14R2.50 Clc1ccc[n]c1NC=2NCCN2 Amb24399753 [1,0,0,0,0,0|3,0,0]=4 66 B14R2.50 Clc1ccccc1CC2CCCN2 Amb17659180 [1,0,0,0,0,0|2,0,1]=4 67 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [1,0,0,0,0,0|2,0,1]=4 68 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2237175 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.50 Clc1ccccc1CC=2CCCC2 Amb24597891 [1,0,0,0,0,0|3,0,0]=4 70 B14R2.50 Clc1ccccc1CC=2NCCN2 Amb18066352 [1,0,0,0,0,0|1,0,0]=2 71 B14R2.50 Clc1ccccc1Cc2[nH]cc[n]2 Amb18335693 [1,0,0,0,0,0|1,0,2]=4 72 B14R2.50 Clc1ccccc1NC2=NCCS2 Amb2257757 [1,0,0,0,0,0|3,0,0]=4 73 B14R2.50 Clc1ccccc1NC=2NCCN2 Amb22473004 [1,0,0,0,0,0|2,0,0]=3 74 B14R2.50 Clc1ccccc1NC=2NCCN2 Amb24103886 [1,0,0,0,0,0|2,0,0]=3 75 B14R2.50 Fc1ccccc1CC2CCCN2 Amb17659181 [1,0,0,0,0,0|2,0,1]=4 76 B14R2.50 Fc1ccccc1CC=2NCCN2 Amb18065750 [1,0,0,0,0,0|1,0,0]=2 77 B14R2.50 Ic1ccccc1NC=2NCCN2 Amb25685142 [1,0,0,0,0,0|2,0,0]=3 78 B14R2.50 Ic1ccccc1\N=C\2/CCCN2 Amb19200231 [1,0,0,0,0,0|3,0,0]=4 79 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.50 Nc1ccccc1Cc2[nH][n][n][n]2 Amb18224483 [1,0,0,0,0,0|3,0,0]=4 81 B14R2.50 Nc1ccccc1Cc2[nH]cc[n]2 Amb18127092 [1,0,0,0,0,0|1,0,2]=4 82 B14R2.50 Nc1ccccc1N=C2NCCN2 Amb10562456 [1,0,0,0,0,0|2,0,1]=4 83 B14R2.50 Nc1ccccc1NC2=NCCS2 Amb24652647 [1,0,0,0,0,0|3,0,0]=4 84 B14R2.50 Nc1ccccc1NC=2NCCN2 Amb25040556 [1,0,0,0,0,0|2,0,0]=3 85 B14R2.50 Nc1ccccc1\N=C/2\CCCN2 Amb25844093 [1,0,0,0,0,0|3,0,0]=4 86 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [1,0,0,0,0,0|2,0,1]=4 87 B14R2.50 Oc1ccccc1Cc2[nH]cc[n]2 Amb24460326 [1,0,0,0,0,0|1,0,2]=4 88 B16R2.6175 Cc1cc(C)c(CC=2NCCN2)c(C)c1 Amb18566595 [0,1,0,0,0,0|0,0,0]=1 89 B16R2.6175 Cc1cc(C)c(c(c1)C)CC2CCCN2 Amb17237879 [0,1,0,0,0,0|1,0,1]=3 90 B16R2.6175 Cc1cc(C)c(c(c1)C)Cc2n[nH]nn2 Amb17402568 [0,1,0,0,0,0|2,0,1]=4 91 B16R2.6175 Cc1cc(Cl)c(NC=2NCCN2)c(C)c1 Amb24096483 [0,1,0,0,0,0|2,0,0]=3 92 B16R2.6175 Cc1cc(Cl)cc(C)c1NC=2NCCN2 Amb24072336 [0,1,0,0,0,0|1,0,0]=2 93 B16R2.6175 Cc1cc(Cl)cc(Cl)c1NC=2NCCN2 Amb24096392 [0,1,0,0,0,0|2,0,0]=3 94 B16R2.6175 Clc1cc(I)cc(Cl)c1NC=2NCCN2 Amb22733389 [0,1,0,0,0,0|3,0,0]=4 95 B16R2.6175 Nc1cc(Cl)c(NC=2NCCN2)c(Cl)c1 Amb20622176 [0,1,0,0,0,0|3,0,0]=4 96 B16R2.6175 Oc1cc(Cl)c(c(c1)Cl)NC2=NCCN2 Amb17615224 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.6175 Oc1cc(F)c(NC=2NCCN2)c(Br)c1 Amb22055502 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.11484 Cc1cccc(C)c1CC2CCC(Br)C2 Amb24645689 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.11484 Cc1cccc(C)c1CC=2CCC(=O)C2 Amb25755938 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.11484 Cc1cccc(C)c1CC=2CCC(Cl)C2 Amb24503301 [0,1,0,0,0,0|2,0,0]=3 101 B16R2.11484 Cc1cccc(C)c1CN2CC(N)CC2 Amb25390093 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.11484 Cc1cccc(C)c1CN2C[C@@H](N)CC2 Amb25390098 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.11484 Cc1cccc(C)c1CN2C[C@H](N)CC2 Amb25390097 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.11484 Cc1cccc(C)c1\N=C\2/NC(=O)CS2 Amb19202560 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.11484 O=C1CSC(=N1)Nc2c(C)cccc2C Amb1104022 [0,1,0,0,0,0|2,0,1]=4 106 B16R2.11484 O=C1CS\C(=N\c2c(C)cccc2C)\N1 Amb2246951 [0,1,0,0,0,0|2,0,1]=4 107 B16R2.14153 Cc1cccc(C)c1CC2CCCC2=O Amb24688370 [0,1,0,0,0,0|2,0,1]=4 108 B16R2.14153 Cc1cccc(C)c1CC2CCCC2Cl Amb24672918 [0,1,0,0,0,0|2,0,1]=4 109 B16R2.25684 Cc1cccc(C)c1C(=O)C2=CCCO2 Amb25767366 [0,1,0,0,0,0|2,0,1]=4 110 B14R1.16281 CN\C(\Cc1c(F)cccc1Cl)=N\N Amb25670981 [0,0,1,0,0,0|3,0,0]=4 111 B14R1.16281 CN\C(\Nc1c(Br)cccc1Br)=N\C Amb24641601 [0,0,1,0,0,0|3,0,0]=4 112 B14R1.16281 CN\C(\Nc1c(Cl)cccc1Cl)=N\C Amb24760268 [0,0,1,0,0,0|3,0,0]=4 113 B14R1.16281 CN\C(\Nc1c(F)cccc1Cl)=N\C Amb25301884 [0,0,1,0,0,0|3,0,0]=4 114 B14R1.16281 Cc1cccc(Cl)c1N\C(\NC)=N/C Amb24609842 [0,0,1,0,0,0|2,0,0]=3 115 B14R1.16281 Cc1cccc(F)c1N\C(\NC)=N/N Amb25077506 [0,0,1,0,0,0|3,0,0]=4 116 B14R1.19171 CCCC(=N)Nc1c(C)cc[n]c1C Amb25038783 [0,0,1,0,0,0|3,0,0]=4 117 B14R1.19171 CCNC(=N)Cc1c(Cl)cccc1Cl Amb25164850 [0,0,1,0,0,0|2,0,0]=3 118 B14R1.19171 CCNC(=N)Cc1c(F)cccc1Cl Amb25848715 [0,0,1,0,0,0|2,0,0]=3 119 B14R1.19171 CCNC(=N)Nc1c(Br)cccc1Br Amb25719173 [0,0,1,0,0,0|3,0,0]=4 120 B14R1.19171 CCNC(=N)Nc1c(C)cccc1C Amb19073554 [0,0,1,0,0,0|1,0,0]=2 121 B14R1.19171 CCNC(=N)Nc1c(F)cccc1Cl Amb25789857 [0,0,1,0,0,0|3,0,0]=4 122 B14R1.19171 CCNC(=N)Nc1c(F)cccc1F Amb19084600 [0,0,1,0,0,0|3,0,0]=4 123 B14R1.19171 CCNC(=O)Cc1c(Cl)cccc1Cl Amb20689168 [0,0,1,0,0,0|3,0,0]=4 124 B14R1.19171 CCOC(=N)Cc1c(Cl)cccc1Cl Amb20673162 [0,0,1,0,0,0|3,0,0]=4 125 B14R1.19171 CNNC(=S)Nc1c(C)cccc1C Amb24639073 [0,0,1,0,0,0|3,0,0]=4 126 B14R1.19171 CONC(=O)Nc1c(C)cccc1C Amb25678596 [0,0,1,0,0,0|3,0,0]=4 127 B14R1.19171 CO\N=C(\N)/Cc1c(Cl)cccc1Cl Amb25343714 [0,0,1,0,0,0|3,0,0]=4 128 B14R1.19171 C\C=C\C(=O)Cc1c(C)cccc1C Amb25771203 [0,0,1,0,0,0|2,0,1]=4 129 B14R1.19171 Cc1cccc(C)c1OC(=O)NCO Amb25104926 [0,0,1,0,0,0|3,0,0]=4 130 B14R1.19171 Cc1cccc(Cl)c1NC(=N)CCC Amb25127321 [0,0,1,0,0,0|3,0,0]=4 131 B14R1.19171 Cc1cccc(Cl)c1NC(=S)NCC Amb25141706 [0,0,1,0,0,0|3,0,0]=4 132 B14R1.19171 Cc1cccc(F)c1NC(=S)NCC Amb24348220 [0,0,1,0,0,0|3,0,0]=4 133 B14R1.19171 Cc1cccc(N)c1OC(=O)NCC Amb24516118 [0,0,1,0,0,0|3,0,0]=4 134 B14R1.19171 Cc1cccc(O)c1NC(=O)NCC Amb25178027 [0,0,1,0,0,0|3,0,0]=4 135 B16R3.27813 Cc1cccc2CN3CCNC3=Nc21 Amb25068894 [0,0,0,1,0,0|1,0,1]=3 136 B16R3.27813 Cc1cccc2C[n]3cc[n]c3Nc21 Amb25307963 [0,0,0,1,0,0|1,0,2]=4 137 B16R3.27813 Oc1cccc2CN3CCCC3=Nc21 Amb24506270 [0,0,0,1,0,0|3,0,0]=4 138 B14R2.4572 Cc1[n][nH]c(C)c1NC=2NCCN2 Amb25760204 [0,0,0,0,1,0|3,0,0]=4 139 B14R2.4572 Cc1c[n][n](C)c1NC=2NCCN2 Amb25759698 [0,0,0,0,1,0|3,0,0]=4 140 B14R2.4572 Cc1c[s]c(Cl)c1NC=2NCCN2 Amb22167341 [0,0,0,0,1,0|3,0,0]=4 141 B14R2.4572 Cc1c[s]c(F)c1NC=2NCCN2 Amb25734672 [0,0,0,0,1,0|3,0,0]=4 142 B14R2.4572 Cc1ccc(C)[n]1CC2CCCN2 Amb18286505 [0,0,0,0,1,0|2,0,1]=4 143 B14R2.4572 Cc1ccc(C)[n]1Cc2[nH][n][n][n]2 Amb18808962 [0,0,0,0,1,0|3,0,0]=4 144 B14R2.4572 Cc1ccc(C)[n]1Cc2[nH]c[n][n]2 Amb24606747 [0,0,0,0,1,0|2,0,1]=4 145 B14R2.4572 Cc1ccc(C)[n]1NC=2CCCN2 Amb25696264 [0,0,0,0,1,0|3,0,0]=4 146 B14R2.4572 Cc1ccc(C)[n]1NC=2NCCN2 Amb25288059 [0,0,0,0,1,0|2,0,0]=3 147 B14R2.4572 Cc1o[n]c(C)c1NC=2NCCN2 Amb24470144 [0,0,0,0,1,0|3,0,0]=4 148 B14R2.5333 Cc1cccc(C)c1C=C2CNC2 Amb24437344 [0,0,0,0,1,0|2,0,1]=4 149 B14R2.9066 Cc1cccc(Br)c1C2CCCN2 Amb25259075 [0,0,0,0,1,0|2,0,1]=4 150 B14R2.9066 Cc1cccc(C)c1-c2[n][n]c[s]2 Amb24494656 [0,0,0,0,1,0|2,0,1]=4 151 B14R2.9066 Cc1cccc(C)c1C2OCCO2 Amb24621826 [0,0,0,0,1,0|2,0,1]=4 152 B14R2.9066 Cc1cccc(C)c1C=2NCCN2 Amb24447542 [0,0,0,0,1,0|0,0,0]=1 153 B14R2.9066 Cc1cccc(C)c1N2CCCC2 Amb18269339 [0,0,0,0,1,0|3,0,0]=4 154 B14R2.9066 Cc1cccc(C)c1[C@H]2CCCN2 Amb25737775 [0,0,0,0,1,0|1,0,1]=3 155 B14R2.9066 Cc1cccc(Cl)c1C2CCCN2 Amb24562239 [0,0,0,0,1,0|2,0,1]=4 156 B14R2.9066 Cc1cccc(N)c1-c2[nH][n][n][n]2 Amb25078123 [0,0,0,0,1,0|3,0,0]=4 157 B14R2.9066 Cc1cccc(N)c1-c2[nH]cc[n]2 Amb18279040 [0,0,0,0,1,0|1,0,2]=4 158 B14R2.9066 Cc1cccc(N)c1C=2CCON2 Amb25760673 [0,0,0,0,1,0|3,0,0]=4 159 B14R2.9066 Cc1cccc(O)c1C2=NCCO2 Amb24752484 [0,0,0,0,1,0|2,0,0]=3 160 B14R2.9066 Cc1cccc(O)c1C2CCCN2 Amb24373996 [0,0,0,0,1,0|2,0,1]=4 161 B14R2.9066 Fc1cccc(Cl)c1C=2NCCN2 Amb18066483 [0,0,0,0,1,0|2,0,0]=3 162 B16R2.3259 Cc1cccc(C)c1CN2CCNCC2 Amb25389574 [0,0,0,0,0,1|3,0,0]=4 163 B16R2.3259 Cc1cccc(c1NC2=NCCCS2)C Amb1104047 [0,0,0,0,0,1|2,0,0]=3 164 B16R2.25778 Cc1cccc(C)c1NC[C@@H]2CCCN2 Amb20240564 [0,0,0,0,0,1|1,0,1]=3 165 B16R2.25778 Cc1cccc(C)c1OCC=2NCCN2 Amb24064917 [0,0,0,0,0,1|0,0,0]=1 166 B16R2.25778 Cc1cccc(c1NCC2CCCC2)C Amb17237843 [0,0,0,0,0,1|2,0,1]=4 167 B16R2.25778 Cc1cccc(c1NCC2CCCN2)C Amb17238237 [0,0,0,0,0,1|1,0,1]=3 168 B16R2.25778 Cc1cccc(c1NCc2nccs2)C Amb17341169 [0,0,0,0,0,1|1,0,2]=4 169 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C Amb17075375 [0,0,0,0,0,1|0,0,0]=1 170 B16R2.25778 Cc1cccc(c1OCC2OCCO2)C Amb17239800 [0,0,0,0,0,1|2,0,1]=4 171 B16R2.25778 Cc1cccc(c1OC[C@@H]2CCCN2)C Amb17051830 [0,0,0,0,0,1|1,0,1]=3 172 B16R2.25778 Cc1cccc(c1OCc2n[nH]nn2)C Amb17238043 [0,0,0,0,0,1|2,0,1]=4 173 B16R2.25778 Clc1cccc(c1CSC2=NCCN2)Cl Amb1158557 [0,0,0,0,0,1|2,0,0]=3 174 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl Amb17075406 [0,0,0,0,0,1|2,0,0]=3 175 B16R2.25778 Fc1cccc(Cl)c1CCC=2NCCN2 Amb18571499 [0,0,0,0,0,1|2,0,0]=3 176 B16R2.25778 Fc1cccc(Cl)c1CSC2=NCCN2 Amb17872611 [0,0,0,0,0,1|2,0,0]=3 177 B16R2.25778 Fc1cccc(c1CSC2=NCCN2)Cl Amb131809 [0,0,0,0,0,1|2,0,0]=3 178 B13R1.335 CN\C(\Cc1ccccc1Cl)=N/N Amb18318337 [1,0,1,0,0,0|2,0,0]=4 179 B13R1.335 CN\C(\Cc1ccccc1F)=N/N Amb18791235 [1,0,1,0,0,0|2,0,0]=4 180 B13R1.335 CN\C(\Nc1ccccc1Cl)=N\C Amb24539940 [1,0,1,0,0,0|2,0,0]=4 181 B13R1.335 CN\C(\Nc1ccccc1F)=N\C Amb24549812 [1,0,1,0,0,0|2,0,0]=4 182 B13R1.335 Cc1ccccc1C\C(\NC)=N\N Amb18790850 [1,0,1,0,0,0|1,0,0]=3 183 B13R1.335 Cc1ccccc1\N=C(\NC)/SC Amb24589615 [1,0,1,0,0,0|2,0,0]=4 184 B13R1.4928 CCC(=N)Nc1c(C)cccc1C Amb25821716 [1,0,1,0,0,0|1,0,0]=3 185 B13R1.4928 CCC(N)Cc1c(C)cccc1C Amb25205900 [1,0,1,0,0,0|0,0,1]=3 186 B13R1.4928 CCC(O)Cc1c(C)cccc1C Amb25192566 [1,0,1,0,0,0|1,0,1]=4 187 B13R1.4928 CNC(=N)Cc1c(Cl)cccc1Cl Amb24669780 [1,0,1,0,0,0|2,0,0]=4 188 B13R1.4928 CNC(=N)Nc1c(C)cccc1C Amb18184212 [1,0,1,0,0,0|1,0,0]=3 189 B13R1.4928 CNC(=O)Cc1c(C)cccc1C Amb25345789 [1,0,1,0,0,0|1,0,0]=3 190 B13R1.4928 CNC(C)Cc1c(C)cccc1C Amb24554672 [1,0,1,0,0,0|0,0,1]=3 191 B13R1.4928 CSC(=N)Nc1c(C)cccc1C Amb24729569 [1,0,1,0,0,0|2,0,0]=4 192 B13R1.4928 Cc1cccc(C)c1CC(=O)CBr Amb24615943 [1,0,1,0,0,0|2,0,0]=4 193 B13R1.4928 Cc1cccc(C)c1CC(=O)CN Amb24763440 [1,0,1,0,0,0|2,0,0]=4 194 B13R1.4928 Cc1cccc(C)c1NC(N)=NO Amb18809203 [1,0,1,0,0,0|2,0,0]=4 195 B13R1.4928 Cc1cccc(Cl)c1CC(=O)NC Amb25357045 [1,0,1,0,0,0|2,0,0]=4 196 B13R1.4928 Cc1cccc(F)c1CC(C)NC Amb24663632 [1,0,1,0,0,0|1,0,1]=4 197 B13R1.470 CCCC(=O)Cc1ccccc1C Amb17138794 [1,0,1,0,0,0|2,0,0]=4 198 B13R1.470 CCNC(=N)Cc1ccccc1Br Amb24747330 [1,0,1,0,0,0|1,0,0]=3 199 B13R1.470 CCNC(=N)Cc1ccccc1Cl Amb24430254 [1,0,1,0,0,0|1,0,0]=3 200 B13R1.470 CCNC(=N)Cc1ccccc1F Amb25686401 [1,0,1,0,0,0|1,0,0]=3 201 B13R1.470 CCNC(=N)Nc1ccccc1Cl Amb19066809 [1,0,1,0,0,0|2,0,0]=4 202 B13R1.470 CCNC(=N)Nc1ccccc1F Amb18185015 [1,0,1,0,0,0|2,0,0]=4 203 B13R1.470 CCNC(=O)Cc1ccccc1Br Amb22230625 [1,0,1,0,0,0|2,0,0]=4 204 B13R1.470 CCNC(=O)Cc1ccccc1Cl Amb23014083 [1,0,1,0,0,0|2,0,0]=4 205 B13R1.470 CCNC(=O)Cc1ccccc1N Amb1121104 [1,0,1,0,0,0|2,0,0]=4 206 B13R1.470 CCNC(=O)Nc1ccccc1C Amb2236972 [1,0,1,0,0,0|2,0,0]=4 207 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb19083262 [1,0,1,0,0,0|2,0,0]=4 208 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb20673156 [1,0,1,0,0,0|2,0,0]=4 209 B13R1.470 CCOC(=N)Cc1ccccc1F Amb20673150 [1,0,1,0,0,0|2,0,0]=4 210 B13R1.470 CONC(=O)Cc1ccccc1C Amb10694421 [1,0,1,0,0,0|2,0,0]=4 211 B13R1.470 Cc1c[n]ccc1CC(=O)NCC Amb25822145 [1,0,1,0,0,0|2,0,0]=4 212 B13R1.470 Cc1cc[n]cc1NC(=N)NCC Amb24684114 [1,0,1,0,0,0|2,0,0]=4 213 B13R1.470 Cc1ccccc1CC(=N)OCC Amb20673147 [1,0,1,0,0,0|1,0,0]=3 214 B13R1.470 Cc1ccccc1C\C(\C)=N/OC Amb25796146 [1,0,1,0,0,0|2,0,0]=4 215 B13R1.470 Cc1ccccc1C\C(\N)=N\C#N Amb25301432 [1,0,1,0,0,0|1,0,1]=4 216 B13R1.470 Cc1ccccc1NC(=N)NCC Amb18804674 [1,0,1,0,0,0|1,0,0]=3 217 B13R1.470 Cc1ccccc1NC(=N)OCC Amb25375687 [1,0,1,0,0,0|2,0,0]=4 218 B13R1.470 Cc1ccccc1NC(=N)SCC Amb24600073 [1,0,1,0,0,0|2,0,0]=4 219 B13R1.470 Cc1ccccc1OC(=O)NCC Amb24490439 [1,0,1,0,0,0|2,0,0]=4 220 B13R1.8919 Cc1cccc(C)c1CCCCN Amb18195749 [1,0,1,0,0,0|0,0,1]=3 221 B13R1.8919 Cc1cccc(C)c1CNCC#C Amb25329243 [1,0,1,0,0,0|1,0,1]=4 222 B13R1.8919 Cc1cccc(C)c1NCCCN Amb18648174 [1,0,1,0,0,0|1,0,1]=4 223 B13R1.8919 NCCCOc1c(C)cccc1C Amb10610168 [1,0,1,0,0,0|1,0,1]=4 224 B13R1.8919 NCCCOc1c(C)cccc1C Amb1137541 [1,0,1,0,0,0|1,0,1]=4 225 B13R1.555 NCCCNCc1ccccc1C Amb10075556 [1,0,1,0,0,0|2,0,0]=4 226 B13R1.555 NCCCSCc1ccccc1C Amb10608340 [1,0,1,0,0,0|2,0,0]=4 227 B13R1.555 OCCNCCc1ccccc1C Amb17400737 [1,0,1,0,0,0|1,0,1]=4 228 B13R2.64 C(C1=CCCN1)c2ccccc2 Amb17938862 [2,0,0,0,0,0|1,0,0]=3 229 B13R2.64 C(C1=NCCN1)c2cccnc2 Amb17842975 [2,0,0,0,0,0|1,0,0]=3 230 B13R2.64 C(C1CCCN1)c2ccccc2 Amb17659145 [2,0,0,0,0,0|1,0,1]=4 231 B13R2.64 C(C1NCCS1)c2ccccc2 Amb18796192 [2,0,0,0,0,0|1,0,1]=4 232 B13R2.64 C(C=1NCCN1)c2c[n]c[n]c2 Amb24070751 [2,0,0,0,0,0|2,0,0]=4 233 B13R2.64 C(C=1NCCN1)c2cc[n]cc2 Amb25312067 [2,0,0,0,0,0|1,0,0]=3 234 B13R2.64 C(C=1NCCN1)c2ccc[n]c2 Amb22527135 [2,0,0,0,0,0|1,0,0]=3 235 B13R2.64 C([C@@H]1CCCN1)c2ccccc2 Amb19883945 [2,0,0,0,0,0|1,0,1]=4 236 B13R2.64 C(c1[nH]c[n][n]1)c2ccccc2 Amb25095865 [2,0,0,0,0,0|1,0,1]=4 237 B13R2.64 C(c1[nH]cc[n]1)c2ccccc2 Amb18332263 [2,0,0,0,0,0|0,0,2]=4 238 B13R2.64 C(c1ccccc1)C=2CCCC2 Amb24059058 [2,0,0,0,0,0|2,0,0]=4 239 B13R2.64 C(c1ccccc1)C=2CCCN2 Amb24053775 [2,0,0,0,0,0|1,0,0]=3 240 B13R2.64 C(c1ccccc1)C=2CCNN2 Amb25109564 [2,0,0,0,0,0|2,0,0]=4 241 B13R2.64 C1CNC(=Nc2ccccc2)N1 Amb1803476 [2,0,0,0,0,0|1,0,1]=4 242 B13R2.64 C1CNC(C1)Cc2ccccc2 Amb1125550 [2,0,0,0,0,0|1,0,1]=4 243 B13R2.64 C1CNC(Nc2ccc[n]c2)=N1 Amb25059502 [2,0,0,0,0,0|2,0,0]=4 244 B13R2.64 C1COC(N1)Cc2ccccc2 Amb17506176 [2,0,0,0,0,0|1,0,1]=4 245 B13R2.64 c1ccc(cc1)CC2=NCCO2 Amb2429421 [2,0,0,0,0,0|1,0,0]=3 246 B13R2.64 c1ccc(cc1)NC2=NCCC2 Amb1286041 [2,0,0,0,0,0|2,0,0]=4 247 B15R1.30776 Cc1cc(C)c(NC(=NC)SC)c(C)c1 Amb22467878 [0,1,1,0,0,0|2,0,0]=4 248 B15R1.37637 CCNC(=S)Nc1c(C)cc(Br)cc1C Amb23150238 [0,1,1,0,0,0|2,0,0]=4 249 B15R1.45718 CCNCC(=O)Nc1c(C)cccc1C Amb2414654 [0,1,1,0,0,0|2,0,0]=4 250 B15R1.45718 Cc1cccc(C)c1OC(=O)NCCN Amb18568450 [0,1,1,0,0,0|2,0,0]=4 251 B15R1.45718 NCCNC(=O)Nc1c(C)cccc1C Amb17239376 [0,1,1,0,0,0|2,0,0]=4 252 B15R1.40620 Cc1cc(C)c(\C=C\CCCN)c(C)c1 Amb18566829 [0,1,1,0,0,0|1,0,1]=4 253 B15R1.44685 CCCNCCNc1c(C)cccc1C Amb20215105 [0,1,1,0,0,0|1,0,1]=4 254 B15R1.44685 Cc1cccc(C)c1OCCNCCN Amb18104647 [0,1,1,0,0,0|0,0,2]=4 255 B15R2.123 CCc1ccccc1CC2CCCN2 Amb25681970 [1,1,0,0,0,0|1,0,1]=4 256 B15R2.123 CCc1ccccc1CC=2CCCC2 Amb24622905 [1,1,0,0,0,0|2,0,0]=4 257 B15R2.123 CCc1ccccc1\N=C/2\NCCO2 Amb25790548 [1,1,0,0,0,0|2,0,0]=4 258 B15R2.123 COc1ccccc1CC=2NCCN2 Amb18564750 [1,1,0,0,0,0|0,0,0]=2 259 B15R2.123 COc1ccccc1Cc2[nH]cc[n]2 Amb19092776 [1,1,0,0,0,0|0,0,2]=4 260 B15R2.123 COc1ccccc1Cc2nnn[nH]2 Amb1013665 [1,1,0,0,0,0|2,0,0]=4 261 B15R2.123 COc1ccccc1NC2=NCCS2 Amb1103973 [1,1,0,0,0,0|2,0,0]=4 262 B15R2.123 COc1ccccc1NC=2NCCN2 Amb25690998 [1,1,0,0,0,0|1,0,0]=3 263 B15R2.123 COc1ccccc1\N=C/2\NCCO2 Amb24336500 [1,1,0,0,0,0|2,0,0]=4 264 B15R2.123 CSc1ccccc1NC=2NCCN2 Amb25277169 [1,1,0,0,0,0|1,0,0]=3 265 B15R2.123 CSc1ccccc1\N=C\2/CCCN2 Amb19200246 [1,1,0,0,0,0|2,0,0]=4 266 B15R2.305 CC1CN=C(S1)Nc2ccccc2C Amb1543312 [1,1,0,0,0,0|2,0,0]=4 267 B15R2.305 CC1CNC(Nc2ccccc2Br)=N1 Amb24409943 [1,1,0,0,0,0|2,0,0]=4 268 B15R2.305 CC1CNC(Nc2ccccc2I)=N1 Amb24535903 [1,1,0,0,0,0|2,0,0]=4 269 B15R2.305 Cc1ccccc1CC2=NC(=O)CS2 Amb24684555 [1,1,0,0,0,0|1,0,1]=4 270 B15R2.305 Cc1ccccc1CC=2CCC(Cl)C2 Amb25777448 [1,1,0,0,0,0|2,0,0]=4 271 B15R2.305 Cc1ccccc1CC=2CCC(O)C2 Amb24435247 [1,1,0,0,0,0|2,0,0]=4 272 B15R2.305 Cc1ccccc1CC=2NC(=O)CN2 Amb25079050 [1,1,0,0,0,0|0,0,1]=3 273 B15R2.305 Cc1ccccc1CC=2NC(=O)ON2 Amb19072879 [1,1,0,0,0,0|1,0,1]=4 274 B15R2.305 Cc1ccccc1NC2=NCC(C)O2 Amb25081060 [1,1,0,0,0,0|2,0,0]=4 275 B15R2.305 Cc1ccccc1NC=2NCC(C)N2 Amb24658249 [1,1,0,0,0,0|1,0,0]=3 276 B15R2.305 O=C1CN=C(Cc2ccccc2Br)N1 Amb24337428 [1,1,0,0,0,0|1,0,1]=4 277 B15R2.358 CN(C=1NCCN1)c2ccccc2F Amb24448220 [1,1,0,0,0,0|2,0,0]=4 278 B15R2.358 Cc1ccccc1C(F)C2CCCN2 Amb25223044 [1,1,0,0,0,0|1,0,1]=4 279 B15R2.358 Cc1ccccc1C(N)C2=CCCO2 Amb25259780 [1,1,0,0,0,0|2,0,0]=4 280 B15R2.358 Cc1ccccc1C(N)C=2CCCC2 Amb19076747 [1,1,0,0,0,0|2,0,0]=4 281 B15R2.358 Cc1ccccc1C(O)C=2CCCC2 Amb19077258 [1,1,0,0,0,0|2,0,0]=4 282 B15R2.358 Cc1ccccc1C(c2nnn[nH]2)N Amb17089600 [1,1,0,0,0,0|2,0,0]=4 283 B15R2.358 Cc1ccccc1N(C)C=2NCCN2 Amb25823253 [1,1,0,0,0,0|1,0,0]=3 284 B15R2.358 OC(C=1NCCN1)c2ccccc2Cl Amb25835660 [1,1,0,0,0,0|1,0,0]=3 285 B15R2.358 OC(c1ccccc1C)C2CCCN2 Amb17235107 [1,1,0,0,0,0|1,0,1]=4 286 B15R2.359 Cc1ccccc1CC2NCCC2O Amb25208505 [1,1,0,0,0,0|1,0,1]=4 287 B15R2.359 Cc1ccccc1Cc2[n][n]c[n]2C Amb24360117 [1,1,0,0,0,0|1,0,1]=4 288 B15R2.1109 Cc1c(Br)cccc1NC2=NCCS2 Amb24383840 [1,1,0,0,0,0|2,0,0]=4 289 B15R2.1109 Cc1c(Br)cccc1NC=2NCCN2 Amb25691358 [1,1,0,0,0,0|1,0,0]=3 290 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCO2 Amb25276318 [1,1,0,0,0,0|2,0,0]=4 291 B15R2.1109 Cc1c(Cl)cccc1NC=2CCCN2 Amb25110789 [1,1,0,0,0,0|2,0,0]=4 292 B15R2.1109 Cc1c(F)cccc1NC=2CCCN2 Amb25088709 [1,1,0,0,0,0|2,0,0]=4 293 B15R2.1109 Cc1c(I)cccc1NC2=NCCS2 Amb24425979 [1,1,0,0,0,0|2,0,0]=4 294 B15R2.1109 Cc1c(N)cccc1N=C2NCCN2 Amb25060155 [1,1,0,0,0,0|1,0,1]=4 295 B15R2.1109 Cc1c(N)cccc1NC=2CCCN2 Amb24670545 [1,1,0,0,0,0|2,0,0]=4 296 B15R2.1109 Cc1c(O)cccc1\N=C\2/CCCN2 Amb18650600 [1,1,0,0,0,0|2,0,0]=4 297 B15R2.1109 Cc1cccc(NC=2NCCN2)c1C Amb24089501 [1,1,0,0,0,0|1,0,0]=3 298 B15R2.1109 Cc1cccc(NC=2NCCN2)c1Cl Amb25668120 [1,1,0,0,0,0|2,0,0]=4 299 B15R2.1109 Cc1cccc(c1C)CC2CCCN2 Amb17234816 [1,1,0,0,0,0|1,0,1]=4 300 B15R2.1109 Clc1cccc(c1C)NC2=NCCS2 Amb2262896 [1,1,0,0,0,0|2,0,0]=4 301 B15R2.1109 Fc1c(Cl)cccc1CC=2NCCN2 Amb24437250 [1,1,0,0,0,0|1,0,0]=3 302 B15R2.1109 Fc1c(Cl)cccc1NC=2NCCN2 Amb25768690 [1,1,0,0,0,0|2,0,0]=4 303 B15R2.1109 Fc1cccc(NC=2NCCN2)c1F Amb24631319 [1,1,0,0,0,0|2,0,0]=4 304 B15R2.1109 Fc1cccc(NC=2NCCN2)c1I Amb24535566 [1,1,0,0,0,0|2,0,0]=4 305 B15R2.1154 Cc1cc(C)c(CC=2NCCN2)cc1 Amb18564543 [1,1,0,0,0,0|0,0,0]=2 306 B15R2.1154 Cc1cc(C)c(cc1)NC2=NCCO2 Amb25229560 [1,1,0,0,0,0|2,0,0]=4 307 B15R2.1154 Cc1cc(Cl)ccc1NC2=NCCS2 Amb25045152 [1,1,0,0,0,0|2,0,0]=4 308 B15R2.1154 Cc1cc(Cl)ccc1NC=2NCCN2 Amb24089676 [1,1,0,0,0,0|1,0,0]=3 309 B15R2.1154 Cc1cc(F)ccc1CN2CCCN2 Amb24630500 [1,1,0,0,0,0|2,0,0]=4 310 B15R2.1154 Cc1cc(F)ccc1Cc2[nH][n][n][n]2 Amb25832802 [1,1,0,0,0,0|2,0,0]=4 311 B15R2.1154 Cc1cc(O)ccc1CC2CCCN2 Amb25170296 [1,1,0,0,0,0|1,0,1]=4 312 B15R2.1154 Cc1ccc(NC=2NCCN2)c(Br)c1 Amb24506719 [1,1,0,0,0,0|2,0,0]=4 313 B15R2.1154 Cc1ccc(NC=2NCCN2)c(C)c1 Amb24096399 [1,1,0,0,0,0|1,0,0]=3 314 B15R2.1154 Cc1ccc(NC=2NCCN2)c(Cl)c1 Amb24096485 [1,1,0,0,0,0|2,0,0]=4 315 B15R2.1154 Cc1ccc(c(c1)C)CC2CCCN2 Amb17234797 [1,1,0,0,0,0|1,0,1]=4 316 B15R2.1154 Clc1cc(Cl)c(CC=2NCCN2)cc1 Amb18070428 [1,1,0,0,0,0|1,0,0]=3 317 B15R2.1154 Clc1ccc(NC=2NCCN2)c(Cl)c1 Amb25713217 [1,1,0,0,0,0|2,0,0]=4 318 B15R2.1154 Fc1cc(Cl)c(CC=2NCCN2)cc1 Amb25170601 [1,1,0,0,0,0|1,0,0]=3 319 B15R2.1154 Fc1cc(Cl)ccc1NC=2NCCN2 Amb25366205 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.1154 Fc1cc(F)c(CC=2NCCN2)cc1 Amb25170558 [1,1,0,0,0,0|1,0,0]=3 321 B15R2.1154 Fc1ccc(NC=2NCCN2)c(Br)c1 Amb24506723 [1,1,0,0,0,0|2,0,0]=4 322 B15R2.1154 Fc1ccc(NC=2NCCN2)c(Cl)c1 Amb25733483 [1,1,0,0,0,0|2,0,0]=4 323 B15R2.1154 Fc1ccc(NC=2NCCN2)c(F)c1 Amb24521201 [1,1,0,0,0,0|2,0,0]=4 324 B15R2.1154 Fc1ccc(NC=2NCCN2)c(I)c1 Amb25297853 [1,1,0,0,0,0|2,0,0]=4 325 B15R2.1154 Nc1cc(Cl)ccc1NC=2NCCN2 Amb24336736 [1,1,0,0,0,0|2,0,0]=4 326 B15R2.7567 Cc1cc(CC2CCCN2)c(C)cc1 Amb17991260 [1,1,0,0,0,0|1,0,1]=4 327 B15R2.7567 Cc1cc(CC=2NCCN2)c(C)cc1 Amb18564542 [1,1,0,0,0,0|0,0,0]=2 328 B15R2.7567 Cc1cc(NC=2NCCN2)c(F)cc1 Amb25038153 [1,1,0,0,0,0|2,0,0]=4 329 B15R2.7567 Cc1ccc(Br)cc1CC2CCCN2 Amb25675752 [1,1,0,0,0,0|1,0,1]=4 330 B15R2.7567 Cc1ccc(Br)cc1NC=2CCCN2 Amb24498503 [1,1,0,0,0,0|2,0,0]=4 331 B15R2.7567 Cc1ccc(Cl)cc1NC=2NCCN2 Amb24669132 [1,1,0,0,0,0|1,0,0]=3 332 B15R2.7567 Cc1ccc(F)cc1CC2CCCN2 Amb24394267 [1,1,0,0,0,0|1,0,1]=4 333 B15R2.7567 Cc1ccc(F)cc1Cc2[nH]cc[n]2 Amb24433244 [1,1,0,0,0,0|0,0,2]=4 334 B15R2.7567 Cc1ccc(F)cc1NC=2CCCN2 Amb25708188 [1,1,0,0,0,0|2,0,0]=4 335 B15R2.7567 Cc1ccc(F)cc1NC=2NCCN2 Amb24725470 [1,1,0,0,0,0|1,0,0]=3 336 B15R2.7567 Cc1ccc(c(c1)NC2=NCCS2)C Amb1059601 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.7567 Clc1cc(NC=2NCCN2)c(Br)cc1 Amb24348650 [1,1,0,0,0,0|2,0,0]=4 338 B15R2.7567 Fc1cc(NC=2NCCN2)c(Cl)cc1 Amb25282454 [1,1,0,0,0,0|2,0,0]=4 339 B15R2.7567 Fc1ccc(Br)cc1NC=2NCCN2 Amb25759249 [1,1,0,0,0,0|2,0,0]=4 340 B15R2.7567 Nc1cc(NC=2NCCN2)c(Cl)cc1 Amb24506898 [1,1,0,0,0,0|2,0,0]=4 341 B15R2.8486 CN1CCN=C1N[n]2c(C)ccc2C Amb24411919 [0,1,0,0,1,0|2,0,0]=4 342 B15R2.25281 CN(C=1NCCN1)[n]2c(C)ccc2C Amb24696634 [0,1,0,0,1,0|2,0,0]=4 343 B15R2.15368 Cc1cccc(C)c1C(O)C2CCC2 Amb25666083 [0,1,0,0,1,0|1,0,1]=4 344 B15R2.15368 Cc1cccc(C)c1[C@@H](N)C2CCC2 Amb25343389 [0,1,0,0,1,0|1,0,1]=4 345 B15R2.48035 Cc1cccc(C)c1C=C2CC(N)C2 Amb25232733 [0,1,0,0,1,0|1,0,1]=4 346 B15R2.141901 Cc1cccc(C)c1CC2(O)CCC2 Amb24684661 [0,1,0,0,1,0|1,0,1]=4 347 B15R2.2493 CNc1cccc(c1C2=NCCN2)F Amb17578614 [0,1,0,0,1,0|1,0,0]=3 348 B15R2.2493 COc1cccc(c1C2=NCCN2)F Amb17578627 [0,1,0,0,1,0|1,0,0]=3 349 B15R2.2493 Cc1cccc(OC)c1[C@@H]2CCCN2 Amb24392953 [0,1,0,0,1,0|1,0,1]=4 350 B15R2.2493 Cc1cccc(OC)c1[C@H]2CCCN2 Amb25116630 [0,1,0,0,1,0|1,0,1]=4 351 B15R2.4201 Cc1cc(C)c(-c2[nH][n][n][n]2)c(C)c1 Amb18564504 [0,1,0,0,1,0|2,0,0]=4 352 B15R2.4201 Cc1cc(C)c(-c2[nH]cc[n]2)c(C)c1 Amb25814613 [0,1,0,0,1,0|0,0,2]=4 353 B15R2.4201 Cc1cc(C)c(C2NCCS2)c(C)c1 Amb25805367 [0,1,0,0,1,0|1,0,1]=4 354 B15R2.4201 Cc1cc(C)c([C@@H]2CCCN2)c(C)c1 Amb24568156 [0,1,0,0,1,0|1,0,1]=4 355 B15R2.4201 Cc1cc(C)c([C@H]2CCCN2)c(C)c1 Amb25714464 [0,1,0,0,1,0|1,0,1]=4 356 B15R2.4201 Cc1cc(O)cc(C)c1C2CCCN2 Amb25680066 [0,1,0,0,1,0|1,0,1]=4 357 B15R2.4201 Cc1cc(O)cc(C)c1[C@H]2CCCN2 Amb25700872 [0,1,0,0,1,0|1,0,1]=4 358 B15R2.6956 CC1CNC(C1)c2c(C)cccc2C Amb24506299 [0,1,0,0,1,0|1,0,1]=4 359 B15R2.6956 CC1CSC(N1)c2c(C)cccc2C Amb24731714 [0,1,0,0,1,0|1,0,1]=4 360 B15R2.7647 C[n]1c[n][n]c1-c2c(C)cccc2C Amb25813208 [0,1,0,0,1,0|1,0,1]=4 361 B15R2.15647 Cc1ccc(C)c(-c2[nH]cc[n]2)c1C Amb24498360 [0,1,0,0,1,0|0,0,2]=4 362 B17R2.2360 Cc1cc(C)c(CC2COCCN2)c(C)c1 Amb18067709 [0,1,0,0,0,1|1,0,1]=4 363 B17R2.2360 Cc1cc(C)c(CC2CSCCN2)c(C)c1 Amb18575758 [0,1,0,0,0,1|1,0,1]=4 364 B17R2.2360 Cc1cc(C)c(c(c1)C)CC2CCCCN2 Amb17242923 [0,1,0,0,0,1|1,0,1]=4 365 B17R2.2360 Cc1cc(C)c(c(c1)C)CC2CCCNC2 Amb17195271 [0,1,0,0,0,1|1,0,1]=4 366 B17R2.2360 Oc1cc(C)c(c(c1)C)NC2=NCCCS2 Amb17615970 [0,1,0,0,0,1|2,0,0]=4 367 B17R2.5357 Cc1ccc(O)c(C)c1NC2=NCCCS2 Amb22055525 [0,1,0,0,0,1|2,0,0]=4 368 B17R2.41794 C[C@@H](Oc1c(Cl)cccc1Cl)C=2NCCN2 Amb19132954 [0,1,0,0,0,1|2,0,0]=4 369 B17R2.71328 CCc1cccc(c1NCC2CCCN2)C Amb17243441 [0,1,0,0,0,1|1,0,1]=4 370 B17R2.83661 Cc1cc(C)c(SCC2CCCN2)c(C)c1 Amb18071038 [0,1,0,0,0,1|1,0,1]=4 371 B17R2.83661 Cc1cc(C)c(c(c1)C)CCC2CCCN2 Amb17242922 [0,1,0,0,0,1|1,0,1]=4 372 B17R2.83661 Cc1cc(C)c(c(c1)C)NCC2CCCN2 Amb17243444 [0,1,0,0,0,1|1,0,1]=4 373 B17R2.83661 Cc1cc(C)c(c(c1)C)OCC2=NCCN2 Amb17075383 [0,1,0,0,0,1|0,0,0]=2 374 B17R2.83661 Cc1cc(C)c(c(c1)C)OC[C@@H]2CCCN2 Amb17243939 [0,1,0,0,0,1|1,0,1]=4 375 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)C)C Amb17075381 [0,1,0,0,0,1|0,0,0]=2 376 B17R2.276976 Cc1ccc(c(c1OC[C@@H]2CCCN2)C)C Amb17051848 [0,1,0,0,0,1|1,0,1]=4 377 B17R2.5412 Cc1cc(OC)c(CC2CCCN2)c(C)c1 Amb18245319 [0,2,0,0,0,0|1,0,1]=4 378 B17R2.6091 COc1cc(C)c(CC2CCCN2)c(C)c1 Amb18105952 [0,2,0,0,0,0|1,0,1]=4 379 B17R2.8994 Cc1cc(C)c(C(N)c2[nH][n][n][n]2)c(C)c1 Amb18951403 [0,2,0,0,0,0|2,0,0]=4 380 B17R2.41744 CC1(C)CSC(=N1)Nc2c(C)cccc2C Amb1104046 [0,2,0,0,0,0|2,0,0]=4 381 B17R2.64751 Cc1cccc(C)c1CC2NCCC2CN Amb18168952 [0,2,0,0,0,0|1,0,1]=4 382 B17R2.8976 Cc1cc(C)c(c(c1C)CC2CCCN2)C Amb17404898 [0,2,0,0,0,0|1,0,1]=4 383 B17R2.71190 CCc1cccc(CC)c1N=C2NCCN2 Amb22370126 [0,2,0,0,0,0|1,0,1]=4 384 B17R2.71190 CCc1cccc(CC)c1N=C2NCCN2 Amb22473765 [0,2,0,0,0,0|1,0,1]=4 385 B17R2.71190 CCc1cccc(CC)c1\N=C/2\NCC[NH2+]2 Amb22473766 [0,2,0,0,0,0|1,0,1]=4 386 B15R2.1117 Cc1cc(CCC=2NCCN2)ccc1 Amb18564537 [0,0,1,1,0,0|0,0,2]=4 387 B15R2.1117 Cc1cc(ccc1)NCC=2NCCN2 Amb25664362 [0,0,1,1,0,0|1,0,1]=4 388 B15R2.1117 Cc1cccc(c1)OCC2=NCCN2 Amb17075351 [0,0,1,1,0,0|1,0,1]=4 389 B15R2.65094 Cc1cccc(C)c1CC(=O)C2CC2 Amb24394319 [0,0,1,1,0,0|2,0,0]=4 390 B15R2.65094 Cc1cccc(C)c1CC(N)C2CC2 Amb25135027 [0,0,1,1,0,0|1,0,1]=4 391 B15R2.65094 Cc1cccc(C)c1NC(=N)C2CC2 Amb25164337 [0,0,1,1,0,0|2,0,0]=4 392 B15R2.541 Cc1cccc(C)c1C2COCCN2 Amb24550463 [0,0,1,1,0,0|1,0,1]=4 393 B15R2.541 Cc1cccc(C)c1C2NCCCS2 Amb25786880 [0,0,1,1,0,0|2,0,0]=4 394 B15R2.541 Cc1cccc(C)c1[C@@H]2CNCCC2 Amb24499052 [0,0,1,1,0,0|1,0,1]=4 395 B15R2.541 Cc1cccc(C)c1[C@H]2CCCCN2 Amb24677454 [0,0,1,1,0,0|1,0,1]=4 396 B15R2.541 Cc1cccc(C)c1[C@H]2CNCCC2 Amb25278329 [0,0,1,1,0,0|1,0,1]=4 397 B15R2.54379 Cc1cccc2CC(CCN)CCc21 Amb18819901 [0,0,1,1,0,0|1,0,1]=4 398 B15R2.54379 Cc1cccc2CN(CCN)CCc21 Amb19108897 [0,0,1,1,0,0|0,0,2]=4 399 B15R3.562 Cc1cccc2c1[n]c3NCC[n]23 Amb24088979 [1,0,0,1,0,0|1,0,1]=4 400 B15R3.562 Nc1cccc2c1SC3=NCCN23 Amb25752041 [1,0,0,1,0,0|2,0,0]=4 401 B15R3.1701 C1C(c2[nH][n][n][n]2)c3ccccc31 Amb24737338 [1,0,0,1,0,0|2,0,0]=4 402 B15R3.1885 Cc1ccccc1C2N3N2CCC3 Amb16693967 [1,0,0,1,0,0|2,0,0]=4 403 B15R3.4266 C1C2CCNC2Cc3ccccc31 Amb24424426 [1,0,0,1,0,0|1,0,1]=4 404 B15R3.4266 C1CC2=Nc3c(CN2C1)cccc3 Amb10843488 [1,0,0,1,0,0|2,0,0]=4 405 B15R3.4266 C1CN2Cc3ccccc3N=C2C1 Amb17760619 [1,0,0,1,0,0|2,0,0]=4 406 B15R3.4266 C1c2ccccc2N=C3NCCN31 Amb25142439 [1,0,0,1,0,0|1,0,1]=4 407 B15R3.257161 C1c2ccccc2CC13CCCN3 Amb24697572 [1,0,0,1,0,0|1,0,1]=4 408 B17R3.4464 Clc1cccc2CN(Cc21)C=3NCCN3 Amb22499525 [0,0,0,1,0,1|1,0,0]=3 409 B13R1.7521 CN\C(\N[n]1c(C)ccc1C)=N\C Amb24729356 [0,0,1,0,1,0|2,0,0]=4 410 B13R1.8528 CCC(NC)c1c(C)cccc1C Amb24353199 [0,0,1,0,1,0|1,0,1]=4 411 B13R1.2565 CCNC(=N)N[n]1c(C)ccc1C Amb24652921 [0,0,1,0,1,0|2,0,0]=4 412 B13R1.4453 CCCC(=O)c1c(C)cccc1C Amb24409436 [0,0,1,0,1,0|2,0,0]=4 413 B13R1.4453 CCCC(N)c1c(C)cccc1C Amb24401002 [0,0,1,0,1,0|1,0,1]=4 414 B13R1.4453 CCNC(=N)c1c(O)cccc1Cl Amb24372436 [0,0,1,0,1,0|2,0,0]=4 415 B13R1.4453 CCNC(=O)c1c(C)cccc1C Amb25039972 [0,0,1,0,1,0|1,0,0]=3 416 B13R1.4453 CCNC(=O)c1c(C)cccc1N Amb1131711 [0,0,1,0,1,0|2,0,0]=4 417 B13R1.4453 CCOC(=N)c1c(C)cccc1C Amb25822007 [0,0,1,0,1,0|1,0,0]=3 418 B13R1.4453 Cc1cccc(I)c1C(=O)NCC Amb25769039 [0,0,1,0,1,0|2,0,0]=4 419 B13R2.18 Brc1ccccc1C2=NCCO2 Amb18063906 [1,0,0,0,1,0|2,0,0]=4 420 B13R2.18 Brc1ccccc1C=2CCCN2 Amb24381998 [1,0,0,0,1,0|2,0,0]=4 421 B13R2.18 Brc1ccccc1C=2NCCN2 Amb18069920 [1,0,0,0,1,0|1,0,0]=3 422 B13R2.18 Cc1[n]c[n]cc1C=2NCCN2 Amb25267207 [1,0,0,0,1,0|2,0,0]=4 423 B13R2.18 Cc1c[n]ccc1C=2CCCN2 Amb23578182 [1,0,0,0,1,0|2,0,0]=4 424 B13R2.18 Cc1cc[n]cc1C=2CCCN2 Amb23444760 [1,0,0,0,1,0|2,0,0]=4 425 B13R2.18 Cc1cc[n]cc1C=2NCCN2 Amb24619723 [1,0,0,0,1,0|1,0,0]=3 426 B13R2.18 Cc1ccc[n]c1C=2CCCN2 Amb23589087 [1,0,0,0,1,0|2,0,0]=4 427 B13R2.18 Cc1ccccc1C2CCCN2 Amb20668068 [1,0,0,0,1,0|1,0,1]=4 428 B13R2.18 Cc1ccccc1C2CCCN2 Amb2234653 [1,0,0,0,1,0|1,0,1]=4 429 B13R2.18 Cc1ccccc1C2NCCO2 Amb17334581 [1,0,0,0,1,0|1,0,1]=4 430 B13R2.18 Cc1ccccc1C2NCCS2 Amb18796193 [1,0,0,0,1,0|1,0,1]=4 431 B13R2.18 Cc1ccccc1C=2CCCC2 Amb25252698 [1,0,0,0,1,0|2,0,0]=4 432 B13R2.18 Cc1ccccc1C=2CCNN2 Amb25697316 [1,0,0,0,1,0|2,0,0]=4 433 B13R2.18 Cc1ccccc1C=2NCCN2 Amb18563497 [1,0,0,0,1,0|0,0,0]=2 434 B13R2.18 Cc1ccccc1[C@@H]2CCCN2 Amb23440375 [1,0,0,0,1,0|1,0,1]=4 435 B13R2.18 Cc1ccccc1[C@@H]2CCCN2 Amb24117100 [1,0,0,0,1,0|1,0,1]=4 436 B13R2.18 Cc1ccccc1[C@H]2CCCN2 Amb24714734 [1,0,0,0,1,0|1,0,1]=4 437 B13R2.18 Cc1ccccc1c2ncc[nH]2 Amb17232251 [1,0,0,0,1,0|0,0,2]=4 438 B13R2.18 Cc1ncccc1C2=NCCC2 Amb15692885 [1,0,0,0,1,0|2,0,0]=4 439 B13R2.18 Clc1ccc[n]c1C=2NCCN2 Amb24369623 [1,0,0,0,1,0|2,0,0]=4 440 B13R2.18 Clc1ccccc1C2=CCCN2 Amb25765810 [1,0,0,0,1,0|2,0,0]=4 441 B13R2.18 Clc1ccccc1C2=NCCS2 Amb10573095 [1,0,0,0,1,0|2,0,0]=4 442 B13R2.18 Clc1ccccc1C=2CCCN2 Amb22285378 [1,0,0,0,1,0|2,0,0]=4 443 B13R2.18 Fc1ccccc1C2=NCCN2 Amb17578183 [1,0,0,0,1,0|1,0,0]=3 444 B13R2.18 Nc1cc[n]cc1C=2NCCN2 Amb25130499 [1,0,0,0,1,0|2,0,0]=4 445 B13R2.18 Nc1ccccc1C2=NCCO2 Amb18063926 [1,0,0,0,1,0|2,0,0]=4 446 B13R2.18 Oc1ccc[n]c1C=2NCCN2 Amb25317740 [1,0,0,0,1,0|2,0,0]=4 447 B13R2.18 Oc1ccccc1C2=NCCO2 Amb18645804 [1,0,0,0,1,0|2,0,0]=4 448 B13R2.18 Sc1ccccc1C2=CCCN2 Amb22363566 [1,0,0,0,1,0|2,0,0]=4 449 B13R2.18 Sc1ccccc1C2=NCCN2 Amb2425856 [1,0,0,0,1,0|1,0,0]=3 450 B13R2.29 Cc1[n]cc[n]1CC=2NCCN2 Amb25240955 [1,0,0,0,1,0|2,0,0]=4 451 B13R2.29 Cc1c[s]cc1NC=2NCCN2 Amb25779204 [1,0,0,0,1,0|2,0,0]=4 452 B13R2.5225 Brc1ccccc1CC2CCN2 Amb24754431 [1,0,0,0,1,0|1,0,1]=4 453 B13R2.5225 Cc1ccccc1CN2CCC2 Amb25829873 [1,0,0,0,1,0|2,0,0]=4 454 B13R2.5225 Clc1ccccc1CC2CCN2 Amb25350647 [1,0,0,0,1,0|1,0,1]=4 455 B13R2.5225 Oc1ccccc1CC2CCN2 Amb25287627 [1,0,0,0,1,0|1,0,1]=4 456 B13R2.402 Cc1cccc(C)c1NC2CC2 Amb18933187 [0,0,0,0,2,0|1,0,1]=4 457 B13R2.402 Cc1cccc(O)c1CC2CC2 Amb24659160 [0,0,0,0,2,0|1,0,1]=4 458 B13R2.3490 Cc1cccc(C)c1[C@@H]2CCN2 Amb24426804 [0,0,0,0,2,0|0,0,1]=3 459 B13R2.3490 Cc1cccc(C)c1[C@H]2CCN2 Amb24460288 [0,0,0,0,2,0|0,0,1]=3 460 B13R2.3490 Cc1cccc(Cl)c1C2CCN2 Amb24436523 [0,0,0,0,2,0|1,0,1]=4 461 B13R2.3490 Cc1cccc(Cl)c1[C@@H]2CCN2 Amb24629139 [0,0,0,0,2,0|1,0,1]=4 462 B13R2.3490 Cc1cccc(F)c1C2CCN2 Amb24504720 [0,0,0,0,2,0|1,0,1]=4 463 B13R2.3490 Cc1cccc(F)c1[C@H]2CCN2 Amb24624684 [0,0,0,0,2,0|1,0,1]=4 464 B15R2.38 Cc1ccccc1CC2CCCCN2 Amb2234996 [1,0,0,0,0,1|1,0,1]=4 465 B15R2.38 Cc1ccccc1CC2CCCNC2 Amb1994073 [1,0,0,0,0,1|1,0,1]=4 466 B15R2.38 Cc1ccccc1CC2CNCCN2 Amb18564805 [1,0,0,0,0,1|0,0,2]=4 467 B15R2.38 Cc1ccccc1CC2CNCCO2 Amb18564922 [1,0,0,0,0,1|1,0,1]=4 468 B15R2.38 Cc1ccccc1CC2CNCCS2 Amb18568284 [1,0,0,0,0,1|1,0,1]=4 469 B15R2.38 Cc1ccccc1CC2COCCN2 Amb18564903 [1,0,0,0,0,1|1,0,1]=4 470 B15R2.38 Cc1ccccc1CC2CSCCN2 Amb18568280 [1,0,0,0,0,1|1,0,1]=4 471 B15R2.38 Cc1ccccc1CN2CCCCN2 Amb24599764 [1,0,0,0,0,1|2,0,0]=4 472 B15R2.38 Cc1ccccc1C[C@@H]2CNCCC2 Amb25258970 [1,0,0,0,0,1|1,0,1]=4 473 B15R2.38 Cc1ccccc1C[C@@H]2CNCCN2 Amb25814382 [1,0,0,0,0,1|0,0,2]=4 474 B15R2.38 Cc1ccccc1NC2=NCCCS2 Amb1103914 [1,0,0,0,0,1|2,0,0]=4 475 B15R2.38 Cc1ccccc1NC=2CCCCN2 Amb24498647 [1,0,0,0,0,1|2,0,0]=4 476 B15R2.38 Cc1ccccc1NC=2NCCCN2 Amb24605632 [1,0,0,0,0,1|1,0,0]=3 477 B15R2.38 Cc1ccccc1\N=C/2\CSCCN2 Amb25276527 [1,0,0,0,0,1|2,0,0]=4 478 B15R2.38 Clc1ccccc1CC=2CCCCN2 Amb25779939 [1,0,0,0,0,1|2,0,0]=4 479 B15R2.38 Fc1ccccc1NC=2NCCCN2 Amb24536568 [1,0,0,0,0,1|2,0,0]=4 480 B15R2.562 Brc1ccccc1CCC=2NCCN2 Amb18584296 [1,0,0,0,0,1|1,0,0]=3 481 B15R2.562 Brc1ccccc1CNC2=NCCS2 Amb25204216 [1,0,0,0,0,1|2,0,0]=4 482 B15R2.562 Brc1ccccc1CNC=2NCCN2 Amb24355724 [1,0,0,0,0,1|1,0,0]=3 483 B15R2.562 Brc1ccccc1CSC2=NCCN2 Amb186215 [1,0,0,0,0,1|1,0,0]=3 484 B15R2.562 Brc1ccccc1OCC2=NCCN2 Amb17075358 [1,0,0,0,0,1|1,0,0]=3 485 B15R2.562 Cc1[n]cccc1CSC=2NCCN2 Amb25314278 [1,0,0,0,0,1|1,0,0]=3 486 B15R2.562 Cc1c[n]ccc1CNC=2CCCN2 Amb25054184 [1,0,0,0,0,1|2,0,0]=4 487 B15R2.562 Cc1c[n]ccc1CNC=2NCCN2 Amb25759261 [1,0,0,0,0,1|1,0,0]=3 488 B15R2.562 Cc1cc[n]cc1CNC=2NCCN2 Amb24383573 [1,0,0,0,0,1|1,0,0]=3 489 B15R2.562 Cc1ccc[n]c1CNC2=NCCS2 Amb24344783 [1,0,0,0,0,1|2,0,0]=4 490 B15R2.562 Cc1ccc[n]c1CSC=2NCCN2 Amb25301906 [1,0,0,0,0,1|1,0,0]=3 491 B15R2.562 Cc1ccccc1CCC2CCCN2 Amb17234787 [1,0,0,0,0,1|1,0,1]=4 492 B15R2.562 Cc1ccccc1CNC2=NCCS2 Amb18979483 [1,0,0,0,0,1|1,0,0]=3 493 B15R2.562 Cc1ccccc1CNC=2NCCN2 Amb25059087 [1,0,0,0,0,1|0,0,0]=2 494 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb1485630 [1,0,0,0,0,1|0,0,0]=2 495 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb17760664 [1,0,0,0,0,1|0,0,0]=2 496 B15R2.562 Cc1ccccc1NCC2CCCN2 Amb2236097 [1,0,0,0,0,1|1,0,1]=4 497 B15R2.562 Cc1ccccc1NCC2CCCN2 Amb2237186 [1,0,0,0,0,1|1,0,1]=4 498 B15R2.562 Cc1ccccc1NC[C@@H]2CCCN2 Amb25062305 [1,0,0,0,0,1|1,0,1]=4 499 B15R2.562 Cc1ccccc1NC[C@H]2CCCN2 Amb24348078 [1,0,0,0,0,1|1,0,1]=4 500 B15R2.562 Cc1ccccc1NCc2[nH][n][n][n]2 Amb24747198 [1,0,0,0,0,1|2,0,0]=4 501 B15R2.562 Cc1ccccc1NCc2[nH]cc[n]2 Amb18979229 [1,0,0,0,0,1|0,0,2]=4 502 B15R2.562 Cc1ccccc1NNC=2NCCN2 Amb24382035 [1,0,0,0,0,1|1,0,0]=3 503 B15R2.562 Cc1ccccc1OCC2=NCCN2 Amb17075350 [1,0,0,0,0,1|0,0,0]=2 504 B15R2.562 Cc1ccccc1OCC2NCCS2 Amb25770063 [1,0,0,0,0,1|1,0,1]=4 505 B15R2.562 Cc1ccccc1OCC=2CCCC2 Amb24717353 [1,0,0,0,0,1|2,0,0]=4 506 B15R2.562 Cc1ccccc1OC[C@@H]2CCCN2 Amb17051824 [1,0,0,0,0,1|1,0,1]=4 507 B15R2.562 Cc1ccccc1OCc2[nH]cc[n]2 Amb25673539 [1,0,0,0,0,1|0,0,2]=4 508 B15R2.562 Cc1ccccc1SCC2CCCN2 Amb25700625 [1,0,0,0,0,1|1,0,1]=4 509 B15R2.562 Cc1ccccc1SCC=2NCCN2 Amb25776541 [1,0,0,0,0,1|0,0,0]=2 510 B15R2.562 Cc1ccccc1SC[C@@H]2CCCN2 Amb25111043 [1,0,0,0,0,1|1,0,1]=4 511 B15R2.562 Cc1ccccc1SC[C@H]2CCCN2 Amb25778920 [1,0,0,0,0,1|1,0,1]=4 512 B15R2.562 Cc1ccccc1SCc2[nH][n][n][n]2 Amb25198619 [1,0,0,0,0,1|2,0,0]=4 513 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb22352578 [1,0,0,0,0,1|0,0,1]=3 514 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb24441669 [1,0,0,0,0,1|0,0,1]=3 515 B15R2.562 Clc1ccccc1CCC=2CCCN2 Amb25788977 [1,0,0,0,0,1|2,0,0]=4 516 B15R2.562 Clc1ccccc1NCC=2NCCN2 Amb24639087 [1,0,0,0,0,1|1,0,0]=3 517 B15R2.562 Clc1ccccc1NNC=2NCCN2 Amb25835689 [1,0,0,0,0,1|2,0,0]=4 518 B15R2.562 Clc1ccccc1OCC2=NCCN2 Amb17075355 [1,0,0,0,0,1|1,0,0]=3 519 B15R2.562 Clc1ccccc1\C=C\C=2NCCN2 Amb25698358 [1,0,0,0,0,1|1,0,1]=4 520 B15R2.562 Fc1ccccc1CCC=2NCCN2 Amb18565096 [1,0,0,0,0,1|1,0,0]=3 521 B15R2.562 Fc1ccccc1CNC2=NCCO2 Amb25780151 [1,0,0,0,0,1|2,0,0]=4 522 B15R2.562 Fc1ccccc1CNC=2NCCN2 Amb25843878 [1,0,0,0,0,1|1,0,0]=3 523 B15R2.562 Fc1ccccc1NCC=2NCCN2 Amb25040540 [1,0,0,0,0,1|1,0,0]=3 524 B15R2.562 Fc1ccccc1OCC2=NCCN2 Amb17075353 [1,0,0,0,0,1|1,0,0]=3 525 B15R2.562 Oc1ccccc1CNC2=NCCS2 Amb24742810 [1,0,0,0,0,1|2,0,0]=4 526 B15R2.562 Oc1ccccc1CNC=2NCCN2 Amb24506658 [1,0,0,0,0,1|1,0,0]=3 527 B15R2.7344 Cc1c[n][n](C)c1CNC=2NCCN2 Amb24726568 [0,0,0,0,1,1|2,0,0]=4 528 B15R2.7344 Cc1o[n]c(C)c1CSC=2NCCN2 Amb24650395 [0,0,0,0,1,1|2,0,0]=4 529 B17R2.3933 Cc1cccc(C)c1OCC2COCCN2 Amb18570910 [0,0,0,0,0,2|1,0,1]=4 530 B17R2.3933 Cc1cccc(C)c1OCC2CSCCN2 Amb18576610 [0,0,0,0,0,2|1,0,1]=4 531 B17R2.3933 Cc1cccc(c1NCC2CCCNC2)C Amb17243452 [0,0,0,0,0,2|1,0,1]=4 532 B17R2.41733 Cc1cccc(C)c1\N=C\2/CCCCCN2 Amb19200251 [0,0,0,0,0,2|2,0,0]=4 533 B17R2.41733 Cc1cccc(C)c1\N=C\2/NCCCCS2 Amb20028484 [0,0,0,0,0,2|2,0,0]=4 534 B17R2.41802 Cc1cccc(C)c1OCCC=2NCCN2 Amb18570562 [0,0,0,0,0,2|0,0,0]=2 535 B17R2.41802 Cc1cccc(c1OCCC2CCCN2)C Amb17405390 [0,0,0,0,0,2|1,0,1]=4 536 B17R2.41802 Clc1cccc(Cl)c1OCCC=2NCCN2 Amb18587525 [0,0,0,0,0,2|2,0,0]=4