0 B19R3.2370 c1ccc2c(c[nH]c2c1)CNc3ccncn3 WXVL_AK0528LP3358 [0,0,0,0,0,0|2,0,0]=2 1 B19R3.2370 c1ccc2c(c[nH]c2c1)CNc3ccncn3 WXVL_AK0528LP3358 [0,0,0,0,0,0|2,0,0]=2 2 B19R3.2370 c1ccc2c(csc2c1)CNc3ccncn3 WXVL_AK3951LP3358 [0,0,0,0,0,0|3,0,0]=3 3 B19R3.2370 c1ccc2c(csc2c1)CNc3ccncn3 WXVL_AK3951LP3358 [0,0,0,0,0,0|3,0,0]=3 4 B19R3.2370 c1ccc2c(n[nH]c2c1)CNc3ccncn3 WXVL_AK1533LP3358 [0,0,0,0,0,0|3,0,0]=3 5 B19R3.2370 c1ccc2c(n[nH]c2c1)CNc3ccncn3 WXVL_AK1533LP3358 [0,0,0,0,0,0|3,0,0]=3 6 B19R3.2370 c1ccn2c(cnc2c1)CNc3ccncn3 WXVL_AK00293LP3358 [0,0,0,0,0,0|3,0,1]=4 7 B19R3.2370 c1ccn2c(cnc2c1)CNc3ccncn3 WXVL_AK00293LP3358 [0,0,0,0,0,0|3,0,1]=4 8 B19R3.2370 c1cnc(nc1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0002 [0,0,0,0,0,0|4,0,0]=4 9 B19R3.2370 c1cnc(nc1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0002 [0,0,0,0,0,0|4,0,0]=4 10 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccccc3 WXVL_AF00227SD0001 [0,1,0,0,0,0|2,0,1]=4 11 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccccc3 WXVL_AF00227SD0001 [0,1,0,0,0,0|2,0,1]=4 12 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AF00227SC0062 [0,1,0,0,0,0|1,0,1]=3 13 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AF00227SC0062 [0,1,0,0,0,0|1,0,1]=3 14 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccncn3 WXVL_AF00227SC0231 [0,1,0,0,0,0|2,0,1]=4 15 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccncn3 WXVL_AF00227SC0231 [0,1,0,0,0,0|2,0,1]=4 16 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccnnc3 WXVL_AF00227SC0064 [0,1,0,0,0,0|2,0,1]=4 17 B20R3.2931 O=C(Nc1c[nH]c2c1cccc2)c3ccnnc3 WXVL_AF00227SC0064 [0,1,0,0,0,0|2,0,1]=4 18 B20R3.2931 O=C(Nc1c[nH]c2c1cccn2)c3ccncc3 WXVL_AF00256SC0062 [0,1,0,0,0,0|2,0,1]=4 19 B20R3.2931 O=C(Nc1c[nH]c2c1cccn2)c3ccncc3 WXVL_AF00256SC0062 [0,1,0,0,0,0|2,0,1]=4 20 B20R3.2931 O=C(Nc1n[nH]c2c1cccc2)c3ccncc3 WXVL_AF2666SC0062 [0,1,0,0,0,0|2,0,1]=4 21 B20R3.2931 O=C(Nc1n[nH]c2c1cccc2)c3ccncc3 WXVL_AF2666SC0062 [0,1,0,0,0,0|2,0,1]=4 22 B20R3.8097 Brc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ2111 [0,1,0,0,0,0|2,0,0]=3 23 B20R3.8097 Brc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ2111 [0,1,0,0,0,0|2,0,0]=3 24 B20R3.8097 Brc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LQ2111 [0,1,0,0,0,0|3,0,0]=4 25 B20R3.8097 Brc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LQ2111 [0,1,0,0,0,0|3,0,0]=4 26 B20R3.8097 Brc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LQ2111 [0,1,0,0,0,0|3,0,0]=4 27 B20R3.8097 Brc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LQ2111 [0,1,0,0,0,0|3,0,0]=4 28 B20R3.8097 Cc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0053 [0,1,0,0,0,0|2,0,0]=3 29 B20R3.8097 Cc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0053 [0,1,0,0,0,0|2,0,0]=3 30 B20R3.8097 Cc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP0053 [0,1,0,0,0,0|3,0,0]=4 31 B20R3.8097 Cc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP0053 [0,1,0,0,0,0|3,0,0]=4 32 B20R3.8097 Cc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0053 [0,1,0,0,0,0|3,0,0]=4 33 B20R3.8097 Cc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0053 [0,1,0,0,0,0|3,0,0]=4 34 B20R3.8097 Fc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0435 [0,1,0,0,0,0|2,0,0]=3 35 B20R3.8097 Fc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0435 [0,1,0,0,0,0|2,0,0]=3 36 B20R3.8097 Fc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP0435 [0,1,0,0,0,0|3,0,0]=4 37 B20R3.8097 Fc1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP0435 [0,1,0,0,0,0|3,0,0]=4 38 B20R3.8097 Fc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0435 [0,1,0,0,0,0|3,0,0]=4 39 B20R3.8097 Fc1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0435 [0,1,0,0,0,0|3,0,0]=4 40 B20R3.8097 Ic1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP3348 [0,1,0,0,0,0|2,0,0]=3 41 B20R3.8097 Ic1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP3348 [0,1,0,0,0,0|2,0,0]=3 42 B20R3.8097 Ic1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP3348 [0,1,0,0,0,0|3,0,0]=4 43 B20R3.8097 Ic1cncnc1NCc2csc3c2cccc3 WXVL_AK3951LP3348 [0,1,0,0,0,0|3,0,0]=4 44 B20R3.8097 Ic1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP3348 [0,1,0,0,0,0|3,0,0]=4 45 B20R3.8097 Ic1cncnc1NCc2n[nH]c3c2cccc3 WXVL_AK1533LP3348 [0,1,0,0,0,0|3,0,0]=4 46 B20R3.14372 Brc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ4646 [0,1,0,0,0,0|2,0,0]=3 47 B20R3.14372 Brc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ4646 [0,1,0,0,0,0|2,0,0]=3 48 B20R3.14372 Brc1nccc(n1)NCc2csc3c2cccc3 WXVL_AK3951LQ4646 [0,1,0,0,0,0|3,0,0]=4 49 B20R3.14372 Brc1nccc(n1)NCc2csc3c2cccc3 WXVL_AK3951LQ4646 [0,1,0,0,0,0|3,0,0]=4 50 B20R3.14372 Brc1nccc(n1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LQ4646 [0,1,0,0,0,0|3,0,0]=4 51 B20R3.14372 Brc1nccc(n1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LQ4646 [0,1,0,0,0,0|3,0,0]=4 52 B20R3.14372 Cc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0109 [0,1,0,0,0,0|2,0,0]=3 53 B20R3.14372 Cc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0109 [0,1,0,0,0,0|2,0,0]=3 54 B20R3.14372 Cc1cc(ncn1)NCc2csc3c2cccc3 WXVL_AK3951LP0109 [0,1,0,0,0,0|3,0,0]=4 55 B20R3.14372 Cc1cc(ncn1)NCc2csc3c2cccc3 WXVL_AK3951LP0109 [0,1,0,0,0,0|3,0,0]=4 56 B20R3.14372 Cc1cc(ncn1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0109 [0,1,0,0,0,0|3,0,0]=4 57 B20R3.14372 Cc1cc(ncn1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0109 [0,1,0,0,0,0|3,0,0]=4 58 B20R3.14372 Cc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0556 [0,1,0,0,0,0|2,0,0]=3 59 B20R3.14372 Cc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0556 [0,1,0,0,0,0|2,0,0]=3 60 B20R3.14372 Cc1nccc(n1)NCc2csc3c2cccc3 WXVL_AK3951LP0556 [0,1,0,0,0,0|3,0,0]=4 61 B20R3.14372 Cc1nccc(n1)NCc2csc3c2cccc3 WXVL_AK3951LP0556 [0,1,0,0,0,0|3,0,0]=4 62 B20R3.14372 Cc1nccc(n1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0556 [0,1,0,0,0,0|3,0,0]=4 63 B20R3.14372 Cc1nccc(n1)NCc2n[nH]c3c2cccc3 WXVL_AK1533LP0556 [0,1,0,0,0,0|3,0,0]=4 64 B20R3.3470528 Cn1cc(c2c1cccc2)CNc3ccncn3 WXVL_AK0543LP3358 [0,1,0,0,0,0|2,0,0]=3 65 B20R3.3470528 Cn1cc(c2c1cccc2)CNc3ccncn3 WXVL_AK0543LP3358 [0,1,0,0,0,0|2,0,0]=3 66 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 WXVL_AK0021SD0037 [0,0,1,0,0,0|3,0,0]=4 67 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 WXVL_AK0021SD0037 [0,0,1,0,0,0|3,0,0]=4 68 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br WXVL_AK0021SD0002 [0,0,1,0,0,0|3,0,0]=4 69 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br WXVL_AK0021SD0002 [0,0,1,0,0,0|3,0,0]=4 70 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl WXVL_AK0021SD0006 [0,0,1,0,0,0|3,0,0]=4 71 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl WXVL_AK0021SD0006 [0,0,1,0,0,0|3,0,0]=4 72 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F WXVL_AK0021SD0003 [0,0,1,0,0,0|3,0,0]=4 73 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F WXVL_AK0021SD0003 [0,0,1,0,0,0|3,0,0]=4 74 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I WXVL_AK0021SD0303 [0,0,1,0,0,0|3,0,0]=4 75 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I WXVL_AK0021SD0303 [0,0,1,0,0,0|3,0,0]=4 76 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2O WXVL_AK0021SD00056 [0,0,1,0,0,0|3,0,0]=4 77 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2O WXVL_AK0021SD00056 [0,0,1,0,0,0|3,0,0]=4 78 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2S WXVL_AK0021SD0153 [0,0,1,0,0,0|3,0,0]=4 79 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2S WXVL_AK0021SD0153 [0,0,1,0,0,0|3,0,0]=4 80 B18R3.2098 c1ccc2c(c[nH]c2c1)Nc3ccncn3 WXVL_AF00227LP3358 [0,0,0,0,1,0|2,0,0]=3 81 B18R3.2098 c1ccc2c(c[nH]c2c1)Nc3ccncn3 WXVL_AF00227LP3358 [0,0,0,0,1,0|2,0,0]=3 82 B18R3.2098 c1ccc2c(n[nH]c2c1)Nc3ccncn3 WXVL_AF2666LP3358 [0,0,0,0,1,0|3,0,0]=4 83 B18R3.2098 c1ccc2c(n[nH]c2c1)Nc3ccncn3 WXVL_AF2666LP3358 [0,0,0,0,1,0|3,0,0]=4 84 B18R3.2098 c1cnc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00256LP3358 [0,0,0,0,1,0|3,0,0]=4 85 B18R3.2098 c1cnc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00256LP3358 [0,0,0,0,1,0|3,0,0]=4 86 B20R3.2720 c1cc(ccn1)CNc2ncnc3c2ccnc3 WXVL_AK0021LP0471 [0,0,0,0,0,1|2,0,1]=4 87 B20R3.2720 c1cc(ccn1)CNc2ncnc3c2ccnc3 WXVL_AK0021LP0471 [0,0,0,0,0,1|2,0,1]=4 88 B20R3.2720 c1ccc(cc1)CNc2ncnc3c2cccc3 WXVL_AK00502LP0257 [0,0,0,0,0,1|2,0,1]=4 89 B20R3.2720 c1ccc(cc1)CNc2ncnc3c2cccc3 WXVL_AK00502LP0257 [0,0,0,0,0,1|2,0,1]=4 90 B20R3.2720 c1ccc2c(cccc2c1)CNc3ccncn3 WXVL_AK0011LP3358 [0,0,0,0,0,1|3,0,0]=4 91 B20R3.2720 c1ccc2c(cccc2c1)CNc3ccncn3 WXVL_AK0011LP3358 [0,0,0,0,0,1|3,0,0]=4 92 B20R3.2720 c1ccc2c(ccnc2c1)CNc3ccncn3 WXVL_AK0519LP3358 [0,0,0,0,0,1|2,0,1]=4 93 B20R3.2720 c1ccc2c(ccnc2c1)CNc3ccncn3 WXVL_AK0519LP3358 [0,0,0,0,0,1|2,0,1]=4 94 B20R3.2720 c1ccc2c(nccc2c1)CNc3ccncn3 WXVL_AK00176LP3358 [0,0,0,0,0,1|3,0,0]=4 95 B20R3.2720 c1ccc2c(nccc2c1)CNc3ccncn3 WXVL_AK00176LP3358 [0,0,0,0,0,1|3,0,0]=4 96 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0257 [0,0,0,0,0,1|1,0,1]=3 97 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0257 [0,0,0,0,0,1|1,0,1]=3 98 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncn3 WXVL_AK1356LP0257 [0,0,0,0,0,1|2,0,1]=4 99 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncn3 WXVL_AK1356LP0257 [0,0,0,0,0,1|2,0,1]=4 100 B20R3.2720 c1cnc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0411 [0,0,0,0,0,1|2,0,1]=4 101 B20R3.2720 c1cnc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0411 [0,0,0,0,0,1|2,0,1]=4 102 B20R3.2725 c1ccc2c(c[nH]c2c1)CCNc3ccncn3 WXVL_AK0298LP3358 [0,0,0,0,0,1|1,0,0]=2 103 B20R3.2725 c1ccc2c(c[nH]c2c1)CCNc3ccncn3 WXVL_AK0298LP3358 [0,0,0,0,0,1|1,0,0]=2 104 B20R3.2725 c1ccc2c(coc2c1)CCNc3ccncn3 WXVL_AK2803LP3358 [0,0,0,0,0,1|2,0,0]=3 105 B20R3.2725 c1ccc2c(coc2c1)CCNc3ccncn3 WXVL_AK2803LP3358 [0,0,0,0,0,1|2,0,0]=3 106 B20R3.2725 c1cnc(nc1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0002 [0,0,0,0,0,1|3,0,0]=4 107 B20R3.2725 c1cnc(nc1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0002 [0,0,0,0,0,1|3,0,0]=4 108 B20R3.30190 c1ccc2cc(ccc2c1)CNc3ccncn3 WXVL_AK1490LP3358 [0,0,0,0,0,1|3,0,0]=4 109 B20R3.30190 c1ccc2cc(ccc2c1)CNc3ccncn3 WXVL_AK1490LP3358 [0,0,0,0,0,1|3,0,0]=4 110 B20R3.30190 c1ccc2nc(ccc2c1)CNc3ccncn3 WXVL_AK00456LP3358 [0,0,0,0,0,1|3,0,0]=4 111 B20R3.30190 c1ccc2nc(ccc2c1)CNc3ccncn3 WXVL_AK00456LP3358 [0,0,0,0,0,1|3,0,0]=4 112 B20R3.30190 c1ccc2nc(ncc2c1)NCc3ccncc3 WXVL_AK0021LP0064 [0,0,0,0,0,1|3,0,0]=4 113 B20R3.30190 c1ccc2nc(ncc2c1)NCc3ccncc3 WXVL_AK0021LP0064 [0,0,0,0,0,1|3,0,0]=4 114 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 WXVL_AK0021SD0001 [1,0,1,0,0,0|2,0,0]=4 115 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 WXVL_AK0021SD0001 [1,0,1,0,0,0|2,0,0]=4 116 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 WXVL_AG00183SB0121 [0,1,1,0,0,0|1,0,1]=4 117 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 WXVL_AG00183SB0121 [0,1,1,0,0,0|1,0,1]=4 118 B19R2.8900 O=C(Cc1ccccc1)NCCc2ccncc2 WXVL_AK0093SB0092 [0,1,1,0,0,0|2,0,0]=4 119 B19R2.8900 O=C(Cc1ccccc1)NCCc2ccncc2 WXVL_AK0093SB0092 [0,1,1,0,0,0|2,0,0]=4 120 B19R2.8900 O=C(NCCc1ccncc1)Nc2ccccn2 WXVL_AK0093YV0189 [0,1,1,0,0,0|2,0,0]=4 121 B19R2.8900 O=C(NCCc1ccncc1)Nc2ccccn2 WXVL_AK0093YV0189 [0,1,1,0,0,0|2,0,0]=4 122 B19R2.16162 O=C(/C=C/c1ccccc1)NCc2ccncc2 WXVL_AK0021SB0115 [0,1,1,0,0,0|2,0,0]=4 123 B19R2.16162 O=C(/C=C/c1ccccc1)NCc2ccncc2 WXVL_AK0021SB0115 [0,1,1,0,0,0|2,0,0]=4 124 B19R3.307 Brc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LQ2111 [0,1,0,0,1,0|2,0,0]=4 125 B19R3.307 Brc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LQ2111 [0,1,0,0,1,0|2,0,0]=4 126 B19R3.307 Cc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0053 [0,1,0,0,1,0|2,0,0]=4 127 B19R3.307 Cc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0053 [0,1,0,0,1,0|2,0,0]=4 128 B19R3.307 Fc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0435 [0,1,0,0,1,0|2,0,0]=4 129 B19R3.307 Fc1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0435 [0,1,0,0,1,0|2,0,0]=4 130 B19R3.307 Ic1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP3348 [0,1,0,0,1,0|2,0,0]=4 131 B19R3.307 Ic1cncnc1Nc2c[nH]c3c2cccc3 WXVL_AF00227LP3348 [0,1,0,0,1,0|2,0,0]=4 132 B19R3.5866 Brc1ccc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00239LP3358 [0,1,0,0,1,0|2,0,0]=4 133 B19R3.5866 Brc1ccc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00239LP3358 [0,1,0,0,1,0|2,0,0]=4 134 B19R3.5866 Clc1ccc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00162LP3358 [0,1,0,0,1,0|2,0,0]=4 135 B19R3.5866 Clc1ccc2[nH]cc(c2c1)Nc3ccncn3 WXVL_AF00162LP3358 [0,1,0,0,1,0|2,0,0]=4 136 B19R3.9780 Brc1nccc(n1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LQ4646 [0,1,0,0,1,0|2,0,0]=4 137 B19R3.9780 Brc1nccc(n1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LQ4646 [0,1,0,0,1,0|2,0,0]=4 138 B19R3.9780 Cc1cc(ncn1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0109 [0,1,0,0,1,0|2,0,0]=4 139 B19R3.9780 Cc1cc(ncn1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0109 [0,1,0,0,1,0|2,0,0]=4 140 B19R3.9780 Cc1nccc(n1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0556 [0,1,0,0,1,0|2,0,0]=4 141 B19R3.9780 Cc1nccc(n1)Nc2c[nH]c3c2cccc3 WXVL_AF00227LP0556 [0,1,0,0,1,0|2,0,0]=4 142 B21R3.525 Clc1cnccc1CNc2ncnc3c2cccc3 WXVL_AK3976LP0257 [0,1,0,0,0,1|1,0,1]=4 143 B21R3.525 Clc1cnccc1CNc2ncnc3c2cccc3 WXVL_AK3976LP0257 [0,1,0,0,0,1|1,0,1]=4 144 B21R3.525 Fc1cnccc1CNc2ncnc3c2cccc3 WXVL_AK1489LP0257 [0,1,0,0,0,1|1,0,1]=4 145 B21R3.525 Fc1cnccc1CNc2ncnc3c2cccc3 WXVL_AK1489LP0257 [0,1,0,0,0,1|1,0,1]=4 146 B21R3.8413 Brc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LQ2479 [0,1,0,0,0,1|1,0,1]=4 147 B21R3.8413 Brc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LQ2479 [0,1,0,0,0,1|1,0,1]=4 148 B21R3.8413 Cc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP1016 [0,1,0,0,0,1|1,0,1]=4 149 B21R3.8413 Cc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP1016 [0,1,0,0,0,1|1,0,1]=4 150 B21R3.8413 Fc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0376 [0,1,0,0,0,1|1,0,1]=4 151 B21R3.8413 Fc1ccc2c(ncnc2c1)NCc3ccncc3 WXVL_AK0021LP0376 [0,1,0,0,0,1|1,0,1]=4 152 B21R3.19514 Cc1nc(c2ccccc2n1)NCc3ccncc3 WXVL_AK0021LP0578 [0,1,0,0,0,1|1,0,1]=4 153 B21R3.19514 Cc1nc(c2ccccc2n1)NCc3ccncc3 WXVL_AK0021LP0578 [0,1,0,0,0,1|1,0,1]=4 154 B21R3.21578 Brc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK2247LP0257 [0,1,0,0,0,1|1,0,1]=4 155 B21R3.21578 Brc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK2247LP0257 [0,1,0,0,0,1|1,0,1]=4 156 B21R3.21578 Cc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK0517LP0257 [0,1,0,0,0,1|1,0,1]=4 157 B21R3.21578 Cc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK0517LP0257 [0,1,0,0,0,1|1,0,1]=4 158 B21R3.21578 Clc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK0323LP0257 [0,1,0,0,0,1|1,0,1]=4 159 B21R3.21578 Clc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK0323LP0257 [0,1,0,0,0,1|1,0,1]=4 160 B21R3.21578 Fc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK00762LP0257 [0,1,0,0,0,1|1,0,1]=4 161 B21R3.21578 Fc1cc(ccn1)CNc2ncnc3c2cccc3 WXVL_AK00762LP0257 [0,1,0,0,0,1|1,0,1]=4 162 B21R3.155183 Brc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LQ2091 [0,1,0,0,0,1|1,0,1]=4 163 B21R3.155183 Brc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LQ2091 [0,1,0,0,0,1|1,0,1]=4 164 B21R3.155183 Cc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP0622 [0,1,0,0,0,1|1,0,1]=4 165 B21R3.155183 Cc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP0622 [0,1,0,0,0,1|1,0,1]=4 166 B21R3.155183 Fc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP0380 [0,1,0,0,0,1|1,0,1]=4 167 B21R3.155183 Fc1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP0380 [0,1,0,0,0,1|1,0,1]=4 168 B21R3.155183 Ic1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP3352 [0,1,0,0,0,1|1,0,1]=4 169 B21R3.155183 Ic1ccc2ncnc(c2c1)NCc3ccncc3 WXVL_AK0021LP3352 [0,1,0,0,0,1|1,0,1]=4 170 B21R3.393077 Brc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LQ2165 [0,1,0,0,0,1|1,0,1]=4 171 B21R3.393077 Brc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LQ2165 [0,1,0,0,0,1|1,0,1]=4 172 B21R3.393077 Cc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LP0618 [0,1,0,0,0,1|1,0,1]=4 173 B21R3.393077 Cc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LP0618 [0,1,0,0,0,1|1,0,1]=4 174 B21R3.393077 Fc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LP0953 [0,1,0,0,0,1|1,0,1]=4 175 B21R3.393077 Fc1cccc2c1ncnc2NCc3ccncc3 WXVL_AK0021LP0953 [0,1,0,0,0,1|1,0,1]=4 176 B21R3.521193 CC(Nc1ncnc2c1cccc2)c3ccncc3 WXVL_AK0282LP0257 [0,1,0,0,0,1|1,0,1]=4 177 B21R3.521193 CC(Nc1ncnc2c1cccc2)c3ccncc3 WXVL_AK0282LP0257 [0,1,0,0,0,1|1,0,1]=4 178 B21R3.6679883 Fc1cccc2c1c(ncn2)NCc3ccncc3 WXVL_AK0021LP1408 [0,1,0,0,0,1|1,0,1]=4 179 B21R3.6679883 Fc1cccc2c1c(ncn2)NCc3ccncc3 WXVL_AK0021LP1408 [0,1,0,0,0,1|1,0,1]=4 180 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccccc3 WXVL_AK0528SD0001 [0,1,0,0,0,1|1,0,1]=4 181 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccccc3 WXVL_AK0528SD0001 [0,1,0,0,0,1|1,0,1]=4 182 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AK0528SC0062 [0,1,0,0,0,1|0,0,1]=3 183 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AK0528SC0062 [0,1,0,0,0,1|0,0,1]=3 184 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccncn3 WXVL_AK0528SC0231 [0,1,0,0,0,1|1,0,1]=4 185 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccncn3 WXVL_AK0528SC0231 [0,1,0,0,0,1|1,0,1]=4 186 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccnnc3 WXVL_AK0528SC0064 [0,1,0,0,0,1|1,0,1]=4 187 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccnnc3 WXVL_AK0528SC0064 [0,1,0,0,0,1|1,0,1]=4 188 B21R3.623 O=C(NCc1csc2c1cccc2)c3ccncc3 WXVL_AK3951SC0062 [0,1,0,0,0,1|1,0,1]=4 189 B21R3.623 O=C(NCc1csc2c1cccc2)c3ccncc3 WXVL_AK3951SC0062 [0,1,0,0,0,1|1,0,1]=4 190 B21R3.623 O=C(NCc1n[nH]c2c1cccc2)c3ccncc3 WXVL_AK1533SC0062 [0,1,0,0,0,1|1,0,1]=4 191 B21R3.623 O=C(NCc1n[nH]c2c1cccc2)c3ccncc3 WXVL_AK1533SC0062 [0,1,0,0,0,1|1,0,1]=4 192 B21R3.2808 O=C(NCc1ccncc1)c2c[nH]c3c2cccn3 WXVL_AK0021SE0048 [0,1,0,0,0,1|1,0,1]=4 193 B21R3.2808 O=C(NCc1ccncc1)c2c[nH]c3c2cccn3 WXVL_AK0021SE0048 [0,1,0,0,0,1|1,0,1]=4 194 B21R3.2808 O=C(NCc1ccncc1)c2c[nH]c3c2ccnc3 WXVL_AK0021SE0638 [0,1,0,0,0,1|1,0,1]=4 195 B21R3.2808 O=C(NCc1ccncc1)c2c[nH]c3c2ccnc3 WXVL_AK0021SE0638 [0,1,0,0,0,1|1,0,1]=4 196 B21R3.2808 O=C(NCc1ccncc1)c2coc3c2cccc3 WXVL_AK0021SE0302 [0,1,0,0,0,1|1,0,1]=4 197 B21R3.2808 O=C(NCc1ccncc1)c2coc3c2cccc3 WXVL_AK0021SE0302 [0,1,0,0,0,1|1,0,1]=4 198 B21R3.2808 O=C(NCc1ccncc1)c2csc3c2cccc3 WXVL_AK0021SE0108 [0,1,0,0,0,1|1,0,1]=4 199 B21R3.2808 O=C(NCc1ccncc1)c2csc3c2cccc3 WXVL_AK0021SE0108 [0,1,0,0,0,1|1,0,1]=4 200 B21R3.2808 O=C(NCc1ccncc1)c2n[nH]c3c2cccc3 WXVL_AK0021SE0379 [0,1,0,0,0,1|1,0,1]=4 201 B21R3.2808 O=C(NCc1ccncc1)c2n[nH]c3c2cccc3 WXVL_AK0021SE0379 [0,1,0,0,0,1|1,0,1]=4 202 B21R3.8298 Brc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LQ2111 [0,1,0,0,0,1|1,0,0]=3 203 B21R3.8298 Brc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LQ2111 [0,1,0,0,0,1|1,0,0]=3 204 B21R3.8298 Brc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LQ2111 [0,1,0,0,0,1|2,0,0]=4 205 B21R3.8298 Brc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LQ2111 [0,1,0,0,0,1|2,0,0]=4 206 B21R3.8298 Cc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0053 [0,1,0,0,0,1|1,0,0]=3 207 B21R3.8298 Cc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0053 [0,1,0,0,0,1|1,0,0]=3 208 B21R3.8298 Cc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP0053 [0,1,0,0,0,1|2,0,0]=4 209 B21R3.8298 Cc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP0053 [0,1,0,0,0,1|2,0,0]=4 210 B21R3.8298 Fc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0435 [0,1,0,0,0,1|1,0,0]=3 211 B21R3.8298 Fc1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0435 [0,1,0,0,0,1|1,0,0]=3 212 B21R3.8298 Fc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP0435 [0,1,0,0,0,1|2,0,0]=4 213 B21R3.8298 Fc1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP0435 [0,1,0,0,0,1|2,0,0]=4 214 B21R3.8298 Ic1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP3348 [0,1,0,0,0,1|1,0,0]=3 215 B21R3.8298 Ic1cncnc1NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP3348 [0,1,0,0,0,1|1,0,0]=3 216 B21R3.8298 Ic1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP3348 [0,1,0,0,0,1|2,0,0]=4 217 B21R3.8298 Ic1cncnc1NCCc2coc3c2cccc3 WXVL_AK2803LP3348 [0,1,0,0,0,1|2,0,0]=4 218 B21R3.8418 Fc1ccc2c(c[nH]c2c1)CCNc3ccncn3 WXVL_AK00605LP3358 [0,1,0,0,0,1|1,0,0]=3 219 B21R3.8418 Fc1ccc2c(c[nH]c2c1)CCNc3ccncn3 WXVL_AK00605LP3358 [0,1,0,0,0,1|1,0,0]=3 220 B21R3.19837 Cc1[nH]c2ccccc2c1CCNc3ccncn3 WXVL_AK0966LP3358 [0,1,0,0,0,1|1,0,0]=3 221 B21R3.19837 Cc1[nH]c2ccccc2c1CCNc3ccncn3 WXVL_AK0966LP3358 [0,1,0,0,0,1|1,0,0]=3 222 B21R3.21587 Brc1nccc(n1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LQ4646 [0,1,0,0,0,1|1,0,0]=3 223 B21R3.21587 Brc1nccc(n1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LQ4646 [0,1,0,0,0,1|1,0,0]=3 224 B21R3.21587 Brc1nccc(n1)NCCc2coc3c2cccc3 WXVL_AK2803LQ4646 [0,1,0,0,0,1|2,0,0]=4 225 B21R3.21587 Brc1nccc(n1)NCCc2coc3c2cccc3 WXVL_AK2803LQ4646 [0,1,0,0,0,1|2,0,0]=4 226 B21R3.21587 Cc1cc(ncn1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0109 [0,1,0,0,0,1|1,0,0]=3 227 B21R3.21587 Cc1cc(ncn1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0109 [0,1,0,0,0,1|1,0,0]=3 228 B21R3.21587 Cc1cc(ncn1)NCCc2coc3c2cccc3 WXVL_AK2803LP0109 [0,1,0,0,0,1|2,0,0]=4 229 B21R3.21587 Cc1cc(ncn1)NCCc2coc3c2cccc3 WXVL_AK2803LP0109 [0,1,0,0,0,1|2,0,0]=4 230 B21R3.21587 Cc1nccc(n1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0556 [0,1,0,0,0,1|1,0,0]=3 231 B21R3.21587 Cc1nccc(n1)NCCc2c[nH]c3c2cccc3 WXVL_AK0298LP0556 [0,1,0,0,0,1|1,0,0]=3 232 B21R3.21587 Cc1nccc(n1)NCCc2coc3c2cccc3 WXVL_AK2803LP0556 [0,1,0,0,0,1|2,0,0]=4 233 B21R3.21587 Cc1nccc(n1)NCCc2coc3c2cccc3 WXVL_AK2803LP0556 [0,1,0,0,0,1|2,0,0]=4 234 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccccc3 WXVL_AG00183SA00109 [0,1,0,0,0,1|1,0,1]=4 235 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccccc3 WXVL_AG00183SA00109 [0,1,0,0,0,1|1,0,1]=4 236 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccncn3 WXVL_AF0139SA00109 [0,1,0,0,0,1|1,0,1]=4 237 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccncn3 WXVL_AF0139SA00109 [0,1,0,0,0,1|1,0,1]=4 238 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccnnc3 WXVL_AF0624SA00109 [0,1,0,0,0,1|1,0,1]=4 239 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccnnc3 WXVL_AF0624SA00109 [0,1,0,0,0,1|1,0,1]=4 240 B21R3.24497 O=C(Cc1ccccc1)Nc2c[nH]c3c2cccc3 WXVL_AF00227SB0092 [0,1,0,0,0,1|1,0,1]=4 241 B21R3.24497 O=C(Cc1ccccc1)Nc2c[nH]c3c2cccc3 WXVL_AF00227SB0092 [0,1,0,0,0,1|1,0,1]=4 242 B21R3.24497 O=C(Cc1ccncc1)Nc2c[nH]c3c2cccc3 WXVL_AF00227SA00106 [0,1,0,0,0,1|0,0,1]=3 243 B21R3.24497 O=C(Cc1ccncc1)Nc2c[nH]c3c2cccc3 WXVL_AF00227SA00106 [0,1,0,0,0,1|0,0,1]=3 244 B21R3.24497 O=C(Cc1ccncc1)Nc2c[nH]c3c2cccn3 WXVL_AF00256SA00106 [0,1,0,0,0,1|1,0,1]=4 245 B21R3.24497 O=C(Cc1ccncc1)Nc2c[nH]c3c2cccn3 WXVL_AF00256SA00106 [0,1,0,0,0,1|1,0,1]=4 246 B21R3.24497 O=C(Cc1ccncc1)Nc2n[nH]c3c2cccc3 WXVL_AF2666SA00106 [0,1,0,0,0,1|1,0,1]=4 247 B21R3.24497 O=C(Cc1ccncc1)Nc2n[nH]c3c2cccc3 WXVL_AF2666SA00106 [0,1,0,0,0,1|1,0,1]=4 248 B21R3.237380 Cc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK00472LP3358 [0,1,0,0,0,1|1,0,0]=3 249 B21R3.237380 Cc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK00472LP3358 [0,1,0,0,0,1|1,0,0]=3 250 B21R3.237380 Clc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK00473LP3358 [0,1,0,0,0,1|1,0,0]=3 251 B21R3.237380 Clc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK00473LP3358 [0,1,0,0,0,1|1,0,0]=3 252 B21R3.237380 Oc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK1841LP3358 [0,1,0,0,0,1|1,0,0]=3 253 B21R3.237380 Oc1ccc2[nH]cc(c2c1)CCNc3ccncn3 WXVL_AK1841LP3358 [0,1,0,0,0,1|1,0,0]=3 254 B21R3.8187 O=S(=O)(Nc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AF00227HU0382 [0,2,0,0,0,0|2,0,0]=4 255 B21R3.8187 O=S(=O)(Nc1c[nH]c2c1cccc2)c3ccncc3 WXVL_AF00227HU0382 [0,2,0,0,0,0|2,0,0]=4 256 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3Br WXVL_AF00227SC0365 [0,2,0,0,0,0|1,0,1]=4 257 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3Br WXVL_AF00227SC0365 [0,2,0,0,0,0|1,0,1]=4 258 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3Cl WXVL_AF00227SC0375 [0,2,0,0,0,0|1,0,1]=4 259 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3Cl WXVL_AF00227SC0375 [0,2,0,0,0,0|1,0,1]=4 260 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3F WXVL_AF00227SC0320 [0,2,0,0,0,0|1,0,1]=4 261 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3F WXVL_AF00227SC0320 [0,2,0,0,0,0|1,0,1]=4 262 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3O WXVL_AF00227SC0354 [0,2,0,0,0,0|1,0,1]=4 263 B21R3.8332 O=C(Nc1c[nH]c2c1cccc2)c3ccncc3O WXVL_AF00227SC0354 [0,2,0,0,0,0|1,0,1]=4 264 B21R3.21549 Cc1cc(ccn1)C(=O)Nc2c[nH]c3c2cccc3 WXVL_AF00227SC0400 [0,2,0,0,0,0|1,0,1]=4 265 B21R3.21549 Cc1cc(ccn1)C(=O)Nc2c[nH]c3c2cccc3 WXVL_AF00227SC0400 [0,2,0,0,0,0|1,0,1]=4 266 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)Br WXVL_AF00227SC0349 [0,2,0,0,0,0|1,0,1]=4 267 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)Br WXVL_AF00227SC0349 [0,2,0,0,0,0|1,0,1]=4 268 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)Cl WXVL_AF00227SC0083 [0,2,0,0,0,0|1,0,1]=4 269 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)Cl WXVL_AF00227SC0083 [0,2,0,0,0,0|1,0,1]=4 270 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)F WXVL_AF00227SC0015 [0,2,0,0,0,0|1,0,1]=4 271 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)F WXVL_AF00227SC0015 [0,2,0,0,0,0|1,0,1]=4 272 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)O WXVL_AF00227SC0131 [0,2,0,0,0,0|1,0,1]=4 273 B21R3.21549 O=C(Nc1c[nH]c2c1cccc2)c3ccnc(c3)O WXVL_AF00227SC0131 [0,2,0,0,0,0|1,0,1]=4 274 B21R3.237377 O=C(Nc1c[nH]c2c1cc(cc2)Br)c3ccncc3 WXVL_AF00239SC0062 [0,2,0,0,0,0|1,0,1]=4 275 B21R3.237377 O=C(Nc1c[nH]c2c1cc(cc2)Br)c3ccncc3 WXVL_AF00239SC0062 [0,2,0,0,0,0|1,0,1]=4 276 B21R3.237377 O=C(Nc1c[nH]c2c1cc(cc2)Cl)c3ccncc3 WXVL_AF00162SC0062 [0,2,0,0,0,0|1,0,1]=4 277 B21R3.237377 O=C(Nc1c[nH]c2c1cc(cc2)Cl)c3ccncc3 WXVL_AF00162SC0062 [0,2,0,0,0,0|1,0,1]=4 278 B21R3.7968 Cc1ncnc(c1Br)NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ2336 [0,2,0,0,0,0|2,0,0]=4 279 B21R3.7968 Cc1ncnc(c1Br)NCc2c[nH]c3c2cccc3 WXVL_AK0528LQ2336 [0,2,0,0,0,0|2,0,0]=4 280 B21R3.34239 COc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0652 [0,2,0,0,0,0|2,0,0]=4 281 B21R3.34239 COc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0652 [0,2,0,0,0,0|2,0,0]=4 282 B21R3.34239 N#Cc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP1249 [0,2,0,0,0,0|2,0,0]=4 283 B21R3.34239 N#Cc1cncnc1NCc2c[nH]c3c2cccc3 WXVL_AK0528LP1249 [0,2,0,0,0,0|2,0,0]=4 284 B21R3.442342 Cc1cncnc1NCc2cn(c3c2cccc3)C WXVL_AK0543LP0053 [0,2,0,0,0,0|2,0,0]=4 285 B21R3.442342 Cc1cncnc1NCc2cn(c3c2cccc3)C WXVL_AK0543LP0053 [0,2,0,0,0,0|2,0,0]=4 286 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3Br WXVL_AK0543LQ2111 [0,2,0,0,0,0|2,0,0]=4 287 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3Br WXVL_AK0543LQ2111 [0,2,0,0,0,0|2,0,0]=4 288 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3F WXVL_AK0543LP0435 [0,2,0,0,0,0|2,0,0]=4 289 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3F WXVL_AK0543LP0435 [0,2,0,0,0,0|2,0,0]=4 290 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3I WXVL_AK0543LP3348 [0,2,0,0,0,0|2,0,0]=4 291 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3I WXVL_AK0543LP3348 [0,2,0,0,0,0|2,0,0]=4 292 B21R3.476618 Cc1ncc(c(n1)NCc2c[nH]c3c2cccc3)Br WXVL_AK0528LQ3479 [0,2,0,0,0,0|2,0,0]=4 293 B21R3.476618 Cc1ncc(c(n1)NCc2c[nH]c3c2cccc3)Br WXVL_AK0528LQ3479 [0,2,0,0,0,0|2,0,0]=4 294 B21R3.476618 Cc1ncc(c(n1)NCc2c[nH]c3c2cccc3)F WXVL_AK0528LP0581 [0,2,0,0,0,0|2,0,0]=4 295 B21R3.476618 Cc1ncc(c(n1)NCc2c[nH]c3c2cccc3)F WXVL_AK0528LP0581 [0,2,0,0,0,0|2,0,0]=4 296 B21R3.39025 COc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0072 [0,2,0,0,0,0|2,0,0]=4 297 B21R3.39025 COc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0072 [0,2,0,0,0,0|2,0,0]=4 298 B21R3.39025 COc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0547 [0,2,0,0,0,0|2,0,0]=4 299 B21R3.39025 COc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0547 [0,2,0,0,0,0|2,0,0]=4 300 B21R3.39025 CSc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0441 [0,2,0,0,0,0|2,0,0]=4 301 B21R3.39025 CSc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0441 [0,2,0,0,0,0|2,0,0]=4 302 B21R3.39025 CSc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0197 [0,2,0,0,0,0|2,0,0]=4 303 B21R3.39025 CSc1nccc(n1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0197 [0,2,0,0,0,0|2,0,0]=4 304 B21R3.39025 N#Cc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP1065 [0,2,0,0,0,0|2,0,0]=4 305 B21R3.39025 N#Cc1cc(ncn1)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP1065 [0,2,0,0,0,0|2,0,0]=4 306 B21R3.140393 Cc1cc(nc(n1)C)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0261 [0,2,0,0,0,0|2,0,0]=4 307 B21R3.140393 Cc1cc(nc(n1)C)NCc2c[nH]c3c2cccc3 WXVL_AK0528LP0261 [0,2,0,0,0,0|2,0,0]=4 308 B21R3.7440193 Cc1cc(ncn1)NCc2cn(c3c2cccc3)C WXVL_AK0543LP0109 [0,2,0,0,0,0|2,0,0]=4 309 B21R3.7440193 Cc1cc(ncn1)NCc2cn(c3c2cccc3)C WXVL_AK0543LP0109 [0,2,0,0,0,0|2,0,0]=4 310 B21R3.7440193 Cc1nccc(n1)NCc2cn(c3c2cccc3)C WXVL_AK0543LP0556 [0,2,0,0,0,0|2,0,0]=4 311 B21R3.7440193 Cc1nccc(n1)NCc2cn(c3c2cccc3)C WXVL_AK0543LP0556 [0,2,0,0,0,0|2,0,0]=4 312 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3ccnc(n3)Br WXVL_AK0543LQ4646 [0,2,0,0,0,0|2,0,0]=4 313 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3ccnc(n3)Br WXVL_AK0543LQ4646 [0,2,0,0,0,0|2,0,0]=4 314 B21R4.47 c1ccc2c(c[nH]c2c1)c3c[nH]c4c3cncc4 WXVL_LR0785BT4853 [0,0,0,1,0,1|0,0,2]=4 315 B21R4.47 c1ccc2c(c[nH]c2c1)c3csc4c3cncc4 WXVL_LR0788BT4853 [0,0,0,1,0,1|0,0,2]=4 316 B17R2.2382 C(=C/c1ccccc1)\CNc2ccncn2 WXVL_AK00073LP3358 [0,0,1,0,1,0|2,0,0]=4 317 B17R2.2382 C(=C/c1ccccc1)\CNc2ccncn2 WXVL_AK00073LP3358 [0,0,1,0,1,0|2,0,0]=4 318 B17R3.8 c1cc(ccn1)c2c[nH]c3c2cncc3 WXVL_LR0785BT0574 [0,0,0,0,2,0|1,0,0]=3 319 B17R3.8 c1cc(ccn1)c2csc3c2ccnc3 WXVL_LR0782BT0574 [0,0,0,0,2,0|2,0,0]=4 320 B17R3.8 c1cc(ccn1)c2csc3c2cncc3 WXVL_LR0788BT0574 [0,0,0,0,2,0|2,0,0]=4 321 B17R3.8 c1cc2[nH]cc(c2cn1)c3ccnnc3 WXVL_LR0785BT1744 [0,0,0,0,2,0|2,0,0]=4 322 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 WXVL_LR0626BT0919 [0,0,0,0,2,0|2,0,0]=4 323 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1115 [0,0,0,0,2,0|2,0,0]=4 324 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 WXVL_LR0626BT2957 [0,0,0,0,2,0|2,0,0]=4 325 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cncc3 WXVL_LR0785BT0919 [0,0,0,0,2,0|2,0,0]=4 326 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cncc3 WXVL_LR0785BT1115 [0,0,0,0,2,0|2,0,0]=4 327 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cncc3 WXVL_LR0785BT2957 [0,0,0,0,2,0|2,0,0]=4 328 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 WXVL_LR0638BT0919 [0,0,0,0,2,0|2,0,0]=4 329 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 WXVL_LR0638BT1115 [0,0,0,0,2,0|2,0,0]=4 330 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 WXVL_LR0638BT2957 [0,0,0,0,2,0|2,0,0]=4 331 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT0919 [0,0,0,0,2,0|2,0,0]=4 332 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT1115 [0,0,0,0,2,0|2,0,0]=4 333 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT2957 [0,0,0,0,2,0|2,0,0]=4 334 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 WXVL_LR0526BT0574 [0,0,0,0,2,0|1,0,0]=3 335 B17R3.8 c1ccc2c(csc2c1)c3ccnnc3 WXVL_LR0526BT1744 [0,0,0,0,2,0|2,0,0]=4 336 B17R3.8 c1ccn2ncc(c2c1)c3ccncc3 WXVL_LR0403BT0574 [0,0,0,0,2,0|1,0,1]=4 337 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccncc3 WXVL_LR0626BT0574 [0,0,0,0,2,0|1,0,0]=3 338 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccnnc3 WXVL_LR0626BT1744 [0,0,0,0,2,0|2,0,0]=4 339 B17R3.8 c1cnc2c(c[nH]c2c1)c3ccncc3 WXVL_LR0638BT0574 [0,0,0,0,2,0|1,0,0]=3 340 B17R3.8 c1cnc2c(c[nH]c2c1)c3ccnnc3 WXVL_LR0638BT1744 [0,0,0,0,2,0|2,0,0]=4 341 B17R3.8 c1cnc2c(coc2c1)c3ccncc3 WXVL_LR1038BT0574 [0,0,0,0,2,0|2,0,0]=4 342 B17R3.8 c1cnc2c(csc2c1)c3ccncc3 WXVL_LR1043BT0574 [0,0,0,0,2,0|2,0,0]=4 343 B17R3.8 c1cnc2scc(c2c1)c3ccncc3 WXVL_LR0769BT0574 [0,0,0,0,2,0|2,0,0]=4 344 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 WXVL_AK0093SD0037 [0,0,1,0,0,1|2,0,0]=4 345 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 WXVL_AK0093SD0037 [0,0,1,0,0,1|2,0,0]=4 346 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br WXVL_AK0093SD0002 [0,0,1,0,0,1|2,0,0]=4 347 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br WXVL_AK0093SD0002 [0,0,1,0,0,1|2,0,0]=4 348 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl WXVL_AK0093SD0006 [0,0,1,0,0,1|2,0,0]=4 349 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl WXVL_AK0093SD0006 [0,0,1,0,0,1|2,0,0]=4 350 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F WXVL_AK0093SD0003 [0,0,1,0,0,1|2,0,0]=4 351 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F WXVL_AK0093SD0003 [0,0,1,0,0,1|2,0,0]=4 352 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I WXVL_AK0093SD0303 [0,0,1,0,0,1|2,0,0]=4 353 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I WXVL_AK0093SD0303 [0,0,1,0,0,1|2,0,0]=4 354 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2O WXVL_AK0093SD00056 [0,0,1,0,0,1|2,0,0]=4 355 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2O WXVL_AK0093SD00056 [0,0,1,0,0,1|2,0,0]=4 356 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2S WXVL_AK0093SD0153 [0,0,1,0,0,1|2,0,0]=4 357 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2S WXVL_AK0093SD0153 [0,0,1,0,0,1|2,0,0]=4 358 B21R3.3124 c1cc(ccn1)CCNc2ncnc3c2ccnc3 WXVL_AK0093LP0471 [0,0,0,0,0,2|1,0,1]=4 359 B21R3.3124 c1cc(ccn1)CCNc2ncnc3c2ccnc3 WXVL_AK0093LP0471 [0,0,0,0,0,2|1,0,1]=4 360 B21R3.3124 c1ccc(cc1)CCNc2ncnc3c2cccc3 WXVL_AK00498LP0257 [0,0,0,0,0,2|1,0,1]=4 361 B21R3.3124 c1ccc(cc1)CCNc2ncnc3c2cccc3 WXVL_AK00498LP0257 [0,0,0,0,0,2|1,0,1]=4 362 B21R3.3124 c1ccc2c(cccc2c1)CCNc3ccncn3 WXVL_AK9968LP3358 [0,0,0,0,0,2|2,0,0]=4 363 B21R3.3124 c1ccc2c(cccc2c1)CCNc3ccncn3 WXVL_AK9968LP3358 [0,0,0,0,0,2|2,0,0]=4 364 B21R3.3124 c1ccc2c(ncnc2c1)NCCc3ccncc3 WXVL_AK0093LP0257 [0,0,0,0,0,2|0,0,1]=3 365 B21R3.3124 c1ccc2c(ncnc2c1)NCCc3ccncc3 WXVL_AK0093LP0257 [0,0,0,0,0,2|0,0,1]=3 366 B21R3.3124 c1ccc2c(ncnc2c1)NCCc3ccncn3 WXVL_AK6509LP0257 [0,0,0,0,0,2|1,0,1]=4 367 B21R3.3124 c1ccc2c(ncnc2c1)NCCc3ccncn3 WXVL_AK6509LP0257 [0,0,0,0,0,2|1,0,1]=4 368 B21R3.3124 c1cnc2c(ncnc2c1)NCCc3ccncc3 WXVL_AK0093LP0411 [0,0,0,0,0,2|1,0,1]=4 369 B21R3.3124 c1cnc2c(ncnc2c1)NCCc3ccncc3 WXVL_AK0093LP0411 [0,0,0,0,0,2|1,0,1]=4 370 B21R3.3130 c1ccc2c(c[nH]c2c1)CCCNc3ccncn3 WXVL_AK1422LP3358 [0,0,0,0,0,2|1,0,0]=3 371 B21R3.3130 c1ccc2c(c[nH]c2c1)CCCNc3ccncn3 WXVL_AK1422LP3358 [0,0,0,0,0,2|1,0,0]=3 372 B21R3.47750 c1ccc2cc(ccc2c1)CCNc3ccncn3 WXVL_AK2322LP3358 [0,0,0,0,0,2|2,0,0]=4 373 B21R3.47750 c1ccc2cc(ccc2c1)CCNc3ccncn3 WXVL_AK2322LP3358 [0,0,0,0,0,2|2,0,0]=4 374 B21R3.47750 c1ccc2nc(ccc2c1)CCNc3ccncn3 WXVL_AK4300LP3358 [0,0,0,0,0,2|2,0,0]=4 375 B21R3.47750 c1ccc2nc(ccc2c1)CCNc3ccncn3 WXVL_AK4300LP3358 [0,0,0,0,0,2|2,0,0]=4 376 B21R3.47750 c1ccc2nc(ncc2c1)NCCc3ccncc3 WXVL_AK0093LP0064 [0,0,0,0,0,2|2,0,0]=4 377 B21R3.47750 c1ccc2nc(ncc2c1)NCCc3ccncc3 WXVL_AK0093LP0064 [0,0,0,0,0,2|2,0,0]=4