0 B21R3.8413 Nc1ncc2c(cccc2n1)C#Cc3ccccc3 271570a_100000069678_100010209551 [2,0,0,0,0,0|1,0,1]=4 1 B21R3.8413 Nc1ncc2c(cccc2n1)C=Cc3ccccc3 271570a_100102527694_100010209551 [2,0,0,0,0,0|1,0,1]=4 2 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ccccc3 27a_100015324214_100010209551 [2,0,0,0,0,0|2,0,0]=4 3 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccc3 62a_100000211182_100010209551 [2,0,0,0,0,0|2,0,0]=4 4 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccc3 62a_100010209551_100015291786 [2,0,0,0,0,0|2,0,0]=4 5 B21R3.6679883 Nc1ncnc2c1c(ccc2)C#Cc3ccccc3 271570a_100000069678_100010171649 [2,0,0,0,0,0|1,0,1]=4 6 B21R3.6679883 Nc1ncnc2c1c(ccc2)C=Cc3ccccc3 271570a_100102527694_100010171649 [2,0,0,0,0,0|1,0,1]=4 7 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ccccc3 27a_100015324214_100010171649 [2,0,0,0,0,0|2,0,0]=4 8 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3ccccc3 62a_100010171649_100015291786 [2,0,0,0,0,0|2,0,0]=4 9 B21R3.21578 Fc1cccc(c1)C=Cc2cccc3c2cncn3 271570a_100102525537_100009814520 [2,0,0,0,0,0|1,0,1]=4 10 B21R3.21578 Fc1cccc(c1)CNc2cccc3c2cncn3 27a_100000174948_100009814520 [2,0,0,0,0,0|2,0,0]=4 11 B21R3.21578 Fc1cccc(c1)CSc2cccc3c2cncn3 62a_100000230114_100009814520 [2,0,0,0,0,0|2,0,0]=4 12 B21R3.21578 Fc1cccc(c1)CSc2cccc3c2cncn3 62a_100009814520_100000230114 [2,0,0,0,0,0|2,0,0]=4 13 B21R3.21578 Fc1cccc(c1)NCc2cccc3c2cccn3 207a_100000210047_100000708479 [2,0,0,0,0,0|2,0,0]=4 14 B21R3.21578 Fc1cccc(c1)NCc2cccc3c2cncc3 207a_100000210047_100011934574 [2,0,0,0,0,0|2,0,0]=4 15 B21R3.21578 Fc1cccc(c1)NCc2cccc3c2cncc3 270302a_100000210047_100011934574 [2,0,0,0,0,0|2,0,0]=4 16 B21R3.21578 Fc1cccc(c1)OCc2cccc3c2cccc3 34a_100000210426_100011261445 [2,0,0,0,0,0|2,0,0]=4 17 B21R3.21578 Fc1cccc(c1)OCc2cccc3c2cccc3 7a_100000210426_100011261445 [2,0,0,0,0,0|2,0,0]=4 18 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccccc3)N 62a_200011217714_100000041952 [1,0,0,0,1,0|0,1,0]=3 19 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccccn3)N 62a_200011217714_100011216584 [1,0,0,0,1,0|1,1,0]=4 20 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3cccnc3)N 62a_200011217714_100000210063 [1,0,0,0,1,0|1,1,0]=4 21 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccncc3)N 62a_200011217714_100000728582 [1,0,0,0,1,0|1,1,0]=4 22 B21R3.151407 Cc1cccc(c1)Nc2cccc3c2c(ncn3)N 27a_100000188690_100010171649 [1,0,0,0,1,0|2,0,0]=4 23 B21R3.151407 Cc1cccc(c1)Sc2cccc3c2c(ncn3)N 62a_100010171649_100011215228 [1,0,0,0,1,0|1,1,0]=4 24 B21R3.151407 Nc1cccc(c1)Sc2cccc3c2c(ncn3)N 62a_100010171649_100000210019 [1,0,0,0,1,0|1,1,0]=4 25 B21R3.151407 Nc1nccc2c1c(ccc2)Sc3cccc(c3)F 62a_100010291105_100000685547 [1,0,0,0,1,0|1,1,0]=4 26 B21R3.151407 Nc1ncnc2c1c(ccc2)Nc3cccc(c3)Br 27a_100000210019_100010171649 [1,0,0,0,1,0|1,1,0]=4 27 B21R3.151407 Nc1ncnc2c1c(ccc2)Nc3cccc(c3)Cl 27a_100000185859_100010171649 [1,0,0,0,1,0|1,1,0]=4 28 B21R3.151407 Nc1ncnc2c1c(ccc2)Nc3cccc(c3)F 27a_100000210047_100010171649 [1,0,0,0,1,0|1,0,0]=3 29 B21R3.151407 Nc1ncnc2c1c(ccc2)Nc3cccc(c3)I 27a_100000211102_100010171649 [1,0,0,0,1,0|1,1,0]=4 30 B21R3.151407 Nc1ncnc2c1c(ccc2)Nc3cccc(c3)O 27a_100000210217_100010171649 [1,0,0,0,1,0|2,0,0]=4 31 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cc(ccn3)F 62a_100010171649_100000764206 [1,0,0,0,1,0|1,1,0]=4 32 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(c3)Br 62a_100010171649_100000691529 [1,0,0,0,1,0|0,2,0]=4 33 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(c3)Cl 62a_100010171649_100000699651 [1,0,0,0,1,0|0,2,0]=4 34 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(c3)F 62a_100010171649_100000685547 [1,0,0,0,1,0|0,1,0]=3 35 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(c3)O 62a_100010171649_100000211634 [1,0,0,0,1,0|1,1,0]=4 36 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(c3)[S] 62a_100010171649_114929384022 [1,0,0,0,1,0|1,1,0]=4 37 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cccc(n3)F 62a_100010171649_100009815982 [1,0,0,0,1,0|1,1,0]=4 38 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3ccnc(c3)F 62a_100010171649_100009816116 [1,0,0,0,1,0|1,1,0]=4 39 B21R3.151407 Nc1ncnc2c1c(ccc2)Sc3cncc(c3)F 62a_100010171649_100000744099 [1,0,0,0,1,0|1,1,0]=4 40 B21R3.3827414 Cc1cccc(c1)Nc2cccc3c2cnc(n3)N 27a_100000188690_100010209551 [1,0,0,0,1,0|2,0,0]=4 41 B21R3.3827414 Cc1cccc(c1)Sc2cccc3c2cnc(n3)N 62a_100010209551_100011215228 [1,0,0,0,1,0|1,1,0]=4 42 B21R3.3827414 Cc1cccc(c1)Sc2cccc3c2cnc(n3)N 62a_100011215228_100010209551 [1,0,0,0,1,0|1,1,0]=4 43 B21R3.3827414 Nc1cc2cccc(c2cn1)Sc3cccc(c3)F 62a_100000685547_100010201637 [1,0,0,0,1,0|1,1,0]=4 44 B21R3.3827414 Nc1cc2cccc(c2cn1)Sc3cccc(c3)F 62a_100010201637_100000685547 [1,0,0,0,1,0|1,1,0]=4 45 B21R3.3827414 Nc1ccc2c(cccc2n1)Sc3cccc(c3)F 62a_100000723655_100000685547 [1,0,0,0,1,0|1,1,0]=4 46 B21R3.3827414 Nc1cccc(c1)Sc2cccc3c2cnc(n3)N 62a_100000210019_100010209551 [1,0,0,0,1,0|1,1,0]=4 47 B21R3.3827414 Nc1cccc(c1)Sc2cccc3c2cnc(n3)N 62a_100010209551_100000210019 [1,0,0,0,1,0|1,1,0]=4 48 B21R3.3827414 Nc1ncc2c(cccc2n1)Nc3cccc(c3)Br 27a_100000210019_100010209551 [1,0,0,0,1,0|1,1,0]=4 49 B21R3.3827414 Nc1ncc2c(cccc2n1)Nc3cccc(c3)Cl 27a_100000185859_100010209551 [1,0,0,0,1,0|1,1,0]=4 50 B21R3.3827414 Nc1ncc2c(cccc2n1)Nc3cccc(c3)F 27a_100000210047_100010209551 [1,0,0,0,1,0|1,0,0]=3 51 B21R3.3827414 Nc1ncc2c(cccc2n1)Nc3cccc(c3)I 27a_100000211102_100010209551 [1,0,0,0,1,0|1,1,0]=4 52 B21R3.3827414 Nc1ncc2c(cccc2n1)Nc3cccc(c3)O 27a_100000210217_100010209551 [1,0,0,0,1,0|2,0,0]=4 53 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cc(ccn3)F 62a_100000764206_100010209551 [1,0,0,0,1,0|1,1,0]=4 54 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cc(ccn3)F 62a_100010209551_100000764206 [1,0,0,0,1,0|1,1,0]=4 55 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)Br 62a_100000691529_100010209551 [1,0,0,0,1,0|0,2,0]=4 56 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)Br 62a_100010209551_100000691529 [1,0,0,0,1,0|0,2,0]=4 57 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)Cl 62a_100000699651_100010209551 [1,0,0,0,1,0|0,2,0]=4 58 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)Cl 62a_100010209551_100000699651 [1,0,0,0,1,0|0,2,0]=4 59 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)F 62a_100000685547_100010209551 [1,0,0,0,1,0|0,1,0]=3 60 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)F 62a_100010209551_100000685547 [1,0,0,0,1,0|0,1,0]=3 61 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)O 62a_100010209551_100000211634 [1,0,0,0,1,0|1,1,0]=4 62 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)[S] 62a_100010209551_114929384022 [1,0,0,0,1,0|1,1,0]=4 63 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(c3)[S] 62a_114929384022_100010209551 [1,0,0,0,1,0|1,1,0]=4 64 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(n3)F 62a_100009815982_100010209551 [1,0,0,0,1,0|1,1,0]=4 65 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cccc(n3)F 62a_100010209551_100009815982 [1,0,0,0,1,0|1,1,0]=4 66 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3ccnc(c3)F 62a_100009816116_100010209551 [1,0,0,0,1,0|1,1,0]=4 67 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3ccnc(c3)F 62a_100010209551_100009816116 [1,0,0,0,1,0|1,1,0]=4 68 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cncc(c3)F 62a_100000744099_100010209551 [1,0,0,0,1,0|1,1,0]=4 69 B21R3.3827414 Nc1ncc2c(cccc2n1)Sc3cncc(c3)F 62a_100010209551_100000744099 [1,0,0,0,1,0|1,1,0]=4 70 B21R3.23122701 Cc1cc(ccn1)c2cccc3c2c(nc(n3)N)N 271570a_100011830414_200011217714 [0,0,0,0,2,0|2,0,0]=4 71 B21R3.23122701 Cc1cccc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100000749446_200011217714 [0,0,0,0,2,0|1,0,0]=3 72 B21R3.23122701 Cc1cccc(n1)c2cccc3c2c(nc(n3)N)N 271570a_100000046275_200011217714 [0,0,0,0,2,0|2,0,0]=4 73 B21R3.23122701 Cc1ccnc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100000049243_200011217714 [0,0,0,0,2,0|2,0,0]=4 74 B21R3.23122701 Cc1cncc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100012355712_200011217714 [0,0,0,0,2,0|2,0,0]=4 75 B21R3.23122701 Cc1nc(c2c(cccc2n1)c3cccc(c3)F)O 271570a_100012349223_200010988834 [0,0,0,0,2,0|2,0,0]=4 76 B21R3.23122701 Nc1cc(ccn1)c2cccc3c2c(nc(n3)N)N 271570a_102125402725_200011217714 [0,0,0,0,2,0|2,0,0]=4 77 B21R3.23122701 Nc1cccc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100000699968_200011217714 [0,0,0,0,2,0|1,0,0]=3 78 B21R3.23122701 Nc1cncc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100000069896_200011217714 [0,0,0,0,2,0|2,0,0]=4 79 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cc(ccn3)F)N 271570a_200000087102_200011217714 [0,0,0,0,2,0|1,0,0]=3 80 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(c3)Cl)N 271570a_100011214927_200011217714 [0,0,0,0,2,0|0,1,0]=3 81 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(c3)F)N 271570a_100012349223_200011217714 [0,0,0,0,2,0|0,0,0]=2 82 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(c3)I)N 271570a_100000043368_200011217714 [0,0,0,0,2,0|0,1,0]=3 83 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(c3)O)N 271570a_100000693801_200011217714 [0,0,0,0,2,0|1,0,0]=3 84 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(n3)Cl)N 271570a_100000062326_200011217714 [0,0,0,0,2,0|1,1,0]=4 85 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(n3)F)N 271570a_100000090185_200011217714 [0,0,0,0,2,0|1,0,0]=3 86 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cccc(n3)O)N 271570a_100010195584_200011217714 [0,0,0,0,2,0|2,0,0]=4 87 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3ccnc(c3)Cl)N 271570a_100000049459_200011217714 [0,0,0,0,2,0|1,1,0]=4 88 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3ccnc(c3)F)N 271570a_100000062321_200011217714 [0,0,0,0,2,0|1,0,0]=3 89 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3ccnc(c3)O)N 271570a_100010237957_200011217714 [0,0,0,0,2,0|2,0,0]=4 90 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cncc(c3)Br)N 271570a_200009814628_200011217714 [0,0,0,0,2,0|1,1,0]=4 91 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cncc(c3)Cl)N 271570a_100000049213_200011217714 [0,0,0,0,2,0|1,1,0]=4 92 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cncc(c3)F)N 271570a_100000757375_200011217714 [0,0,0,0,2,0|1,0,0]=3 93 B21R3.23122701 Nc1nc(c2c(cccc2n1)c3cncc(c3)O)N 271570a_100010248756_200011217714 [0,0,0,0,2,0|2,0,0]=4