0 B16R2.6164 c1ccc(cc1)c2c(c(nc(n2)N)O)Br TS47421 [0,0,0,0,0,0|0,1,0]=1 1 B16R2.6164 c1ccc(cc1)c2cc(cc(c2Cl)Cl)Cl TS68048 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.27 Cc1cc(nc(n1)N)c2ccccc2 TS15466 [1,0,0,0,0,0|1,0,0]=2 3 B15R2.27 Cc1cc(nc(n1)S)c2ccccc2 TS19438 [1,0,0,0,0,0|2,0,0]=3 4 B15R2.27 Cc1nc(cc(n1)O)c2ccccc2 TS15613 [1,0,0,0,0,0|1,0,0]=2 5 B15R2.27 c1ccc(cc1)c2cc(nc(n2)N)Cl TS60258 [1,0,0,0,0,0|1,0,0]=2 6 B15R2.27 c1ccc(cc1)c2cc(nc(n2)N)O TS47458 [1,0,0,0,0,0|0,0,0]=1 7 B15R2.27 c1ccc(cc1)c2nc(cc(n2)O)O TS15941 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.27 c1ccc(cc1)c2nc(nc(n2)Cl)Cl TS24105 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.27 c1ccc(cc1)c2nc(nc(n2)N)N TS15801 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.27 c1ccc(cc1)c2nc(nc(n2)O)O TS16146 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.27 c1cnccc1c2nc(cc(n2)O)N TS50705 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.27 c1cnccc1c2nc(nc(n2)N)N TS50708 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.32 Cc1c(ncnc1O)c2ccccc2 TS15625 [1,0,0,0,0,0|1,0,0]=2 14 B15R2.33 Cc1cnc(nc1c2ccccc2)N TS15473 [1,0,0,0,0,0|1,0,0]=2 15 B15R2.33 c1ccnc(c1)c2cc(ccc2Cl)N TS19880 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 Cc1cc(ccn1)c2ccccc2 TS12703 [2,0,0,0,0,0|2,0,0]=4 17 B14R2.21 Cc1cccc(n1)c2ccccc2 TS12702 [2,0,0,0,0,0|2,0,0]=4 18 B14R2.21 Cc1ccnc(c1)c2ccccc2 TS12691 [2,0,0,0,0,0|2,0,0]=4 19 B14R2.21 c1cc(cnc1)c2ccnc(n2)N TS13165 [2,0,0,0,0,0|1,0,0]=3 20 B14R2.21 c1cc(cnc1)c2ccnc(n2)S TS16211 [2,0,0,0,0,0|2,0,0]=4 21 B14R2.21 c1ccc(cc1)c2cc(ccn2)Cl TS16265 [2,0,0,0,0,0|2,0,0]=4 22 B14R2.21 c1ccc(cc1)c2cc(ccn2)N TS02970 [2,0,0,0,0,0|2,0,0]=4 23 B14R2.21 c1ccc(cc1)c2cc(ccn2)O TS13001 [2,0,0,0,0,0|1,0,0]=3 24 B14R2.21 c1ccc(cc1)c2cc(ncn2)N TS45315 [2,0,0,0,0,0|1,0,0]=3 25 B14R2.21 c1ccc(cc1)c2cc(ncn2)O TS13161 [2,0,0,0,0,0|0,0,0]=2 26 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS20077 [2,0,0,0,0,0|2,0,0]=4 27 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS65878 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.21 c1ccc(cc1)c2cccc(c2)O TS12817 [2,0,0,0,0,0|2,0,0]=4 29 B14R2.21 c1ccc(cc1)c2cccc(n2)Br TS08377 [2,0,0,0,0,0|2,0,0]=4 30 B14R2.21 c1ccc(cc1)c2cccc(n2)Cl TS16264 [2,0,0,0,0,0|2,0,0]=4 31 B14R2.21 c1ccc(cc1)c2cccc(n2)F TS07720 [2,0,0,0,0,0|2,0,0]=4 32 B14R2.21 c1ccc(cc1)c2cccc(n2)N TS45137 [2,0,0,0,0,0|1,0,0]=3 33 B14R2.21 c1ccc(cc1)c2ccnc(c2)Cl TS50986 [2,0,0,0,0,0|2,0,0]=4 34 B14R2.21 c1ccc(cc1)c2ccnc(c2)F TS45606 [2,0,0,0,0,0|2,0,0]=4 35 B14R2.21 c1ccc(cc1)c2ccnc(c2)N TS00758 [2,0,0,0,0,0|1,0,0]=3 36 B14R2.21 c1ccc(cc1)c2ccnc(n2)Cl TS46382 [2,0,0,0,0,0|1,0,0]=3 37 B14R2.21 c1ccc(cc1)c2ccnc(n2)N TS45312 [2,0,0,0,0,0|0,0,0]=2 38 B14R2.21 c1ccc(cc1)c2ccnc(n2)S TS16036 [2,0,0,0,0,0|1,0,0]=3 39 B14R2.21 c1ccnc(c1)c2ccnc(n2)N TS45449 [2,0,0,0,0,0|1,0,0]=3 40 B14R2.21 c1cnc(nc1c2cnccn2)N TS45602 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.24 Cc1cccnc1c2ccccc2 TS70661 [2,0,0,0,0,0|2,0,0]=4 42 B14R2.24 Cc1cnccc1c2ccccc2 TS12699 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.24 c1ccc(cc1)c2c(cccn2)Br TS56415 [2,0,0,0,0,0|1,1,0]=4 44 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS02639 [2,0,0,0,0,0|2,0,0]=4 45 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS20292 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.24 c1ccc(cc1)c2c(cccn2)O TS45310 [2,0,0,0,0,0|2,0,0]=4 47 B14R2.24 c1ccc(cc1)c2ccccc2Cl TS50840 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.24 c1ccc(cc1)c2ccncc2Br TS56417 [2,0,0,0,0,0|1,1,0]=4 49 B14R2.24 c1ccc(cc1)c2ccncc2Cl TS16261 [2,0,0,0,0,0|1,0,0]=3 50 B14R2.24 c1ccc(cc1)c2ccncc2O TS08985 [2,0,0,0,0,0|2,0,0]=4 51 B16R2.79341 Cc1cc(nc(n1)N)c2ccc(cc2)Br TS29997 [1,1,0,0,0,0|1,0,0]=3 52 B16R2.79341 Cc1cc(nc(n1)N)c2ccc(cc2)Cl TS22671 [1,1,0,0,0,0|1,0,0]=3 53 B16R2.79341 Cc1cc(nc(n1)N)c2ccc(cc2)F TS38447 [1,1,0,0,0,0|1,0,0]=3 54 B16R2.79341 c1cc(ccc1c2cc(nc(n2)N)N)Cl TS49872 [1,1,0,0,0,0|1,0,0]=3 55 B16R2.79341 c1cc(ccc1c2cc(nc(n2)N)N)F TS38587 [1,1,0,0,0,0|1,0,0]=3 56 B16R2.79341 c1cc(ccc1c2nc(nc(n2)N)N)Br TS30239 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.79341 c1cc(ccc1c2nc(nc(n2)N)N)Cl TS23363 [1,1,0,0,0,0|2,0,0]=4 58 B16R2.79341 c1cc(ccc1c2nc(nc(n2)N)N)F TS19950 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.80704 c1cc(cc(c1)Br)c2nc(nc(n2)N)N TS30238 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.80704 c1cc(cc(c1)Cl)c2nc(nc(n2)N)N TS23362 [1,1,0,0,0,0|2,0,0]=4 61 B16R2.80704 c1cc(cc(c1)F)c2nc(nc(n2)N)N TS19948 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.95959 c1ccc(c(c1)c2nc(nc(n2)N)N)F TS19949 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.2859 Cc1cnc(nc1c2ccc(cc2)Cl)N TS22670 [1,1,0,0,0,0|1,0,0]=3 64 B16R2.2911 Cc1cnc(nc1c2cccc(c2)Cl)N TS22669 [1,1,0,0,0,0|1,0,0]=3 65 B16R3.3329 c1ccc2c(c1)c3c([nH]2)c(ncn3)Cl TS19653 [1,0,0,1,0,0|2,0,0]=4 66 B16R3.3329 c1ccc2c(c1)c3c(o2)c(ncn3)Cl TS19868 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.249 Cc1cc(nc(n1)N)c2cccs2 TS17328 [1,0,0,0,1,0|2,0,0]=4 68 B14R2.260 Cn1c(cc(n1)c2ccccc2)O TS13510 [1,0,0,0,1,0|2,0,0]=4 69 B14R2.598 Cc1c(nc(s1)N)c2ccccc2 TS17134 [1,0,0,0,1,0|2,0,0]=4 70 B14R2.598 c1ccc(cc1)c2c(nc(s2)N)N TS74205 [1,0,0,0,1,0|2,0,0]=4 71 B14R2.598 c1ccc(cc1)c2c(nc(s2)N)O TS17493 [1,0,0,0,1,0|1,0,0]=3 72 B16R2.2822 Cc1cc(nc(n1)N)Nc2ccccc2 TS19033 [1,0,0,0,0,1|1,0,0]=3 73 B16R2.2822 Cc1cc(nc(n1)N)Oc2ccccc2 TS07922 [1,0,0,0,0,1|1,0,0]=3 74 B16R2.2822 c1ccc(cc1)Oc2cc(nc(n2)N)F TS19945 [1,0,0,0,0,1|1,0,0]=3 75 B16R2.2822 c1ccc(cc1)Oc2cc(nc(n2)N)O TS38429 [1,0,0,0,0,1|0,0,0]=2 76 B16R2.2247 c1ccc(cc1)c2c(cc(nc2Cl)O)O TS23353 [0,0,0,0,1,1|2,0,0]=4