0 B25R3.4906 O=C(NCc1ccccc1)c2ccc(cc2)Oc3ccccc3 CSC023991122 [0,0,0,0,0,0|1,0,0]=1 1 B24R3.4458 O=C(NCc1ccccn1)c2cnn(c2)Cc3ccccc3 CSC046468652 [0,0,0,0,1,0|3,0,0]=4 2 B24R3.4471 O=C(CSc1ccccn1)c2ccc(cc2)c3ccccc3 CSC047391228 [0,0,0,0,1,0|2,0,0]=3 3 B24R3.4471 O=C(NCc1cccnc1)c2ccc(cc2)c3ccccc3 CSC048329849 [0,0,0,0,1,0|2,0,0]=3 4 B24R3.1994175 O=C(NCc1ccccn1)c2ccc(cc2)Cn3cccn3 CSC046215603 [0,0,0,0,1,0|3,0,0]=4 5 B24R3.1994175 O=C(NCc1ccccn1)c2ccc(cc2)Cn3ccnc3 CSC046138127 [0,0,0,0,1,0|3,0,0]=4 6 B26R3.97830 CC(NCCc1cnccn1)c2ccc(cc2)Oc3ccccc3 CSC093789505 [0,0,0,0,0,1|2,0,1]=4 7 B26R3.2074143 O=C(NCc1ccccc1)c2ccc(cc2)CSc3ccccc3 CSC047742682 [0,0,0,0,0,1|1,1,0]=3 8 B26R3.2074143 O=C(NCc1ccccc1)c2ccc(cc2)OCc3ccccc3 CSC000152937 [0,0,0,0,0,1|1,0,0]=2 9 B26R3.2074143 O=C(NCc1ccccn1)c2ccc(cc2)CSc3ccccc3 CSC047355782 [0,0,0,0,0,1|0,1,0]=2 10 B26R3.2074143 O=C(NCc1cccnc1)c2ccc(cc2)C#Cc3ccccc3 CSC046134671 [0,0,0,0,0,1|3,0,0]=4 11 B26R3.2074143 O=C(NCc1cccnc1)c2ccc(cc2)CSc3ccccc3 CSC046392623 [0,0,0,0,0,1|2,1,0]=4 12 B26R3.2074143 O=C(NCc1ccncc1)c2ccc(cc2)C#Cc3ccccc3 CSC046156364 [0,0,0,0,0,1|3,0,0]=4 13 B26R3.2074143 O=C(NCc1ccncc1)c2ccc(cc2)CSc3ccccc3 CSC047210048 [0,0,0,0,0,1|2,1,0]=4 14 B26R3.2074143 O=C(NCc1ccncc1)c2ccc(cc2)OCc3ccccc3 CSC046122184 [0,0,0,0,0,1|2,0,0]=3 15 B25R3.23725 Clc1ccc(nc1)NC(=O)c2ccc(cc2)Oc3ccccc3 CSC046115467 [0,1,0,0,1,0|0,0,0]=2 16 B25R3.1038 Fc1ccc(cc1)CNC(=O)c2ccc(o2)Oc3ccccc3 CSC046758622 [0,1,0,0,1,0|2,0,0]=4 17 B25R3.45721 Fc1ccccc1CNC(=O)c2ccc(cc2)c3ccccc3 CSC047473080 [0,1,0,0,1,0|1,0,0]=3 18 B25R3.83130 CN(Cc1ccccc1)C(=O)c2ccc(cc2)c3ccccc3 CSC041962961 [0,1,0,0,1,0|1,0,0]=3 19 B25R3.2521890 Cc1noc(n1)CNC(=O)c2ccc(cc2)Oc3ccccc3 CSC046677759 [0,1,0,0,1,0|2,0,0]=4 20 B27R3.83070 Brc1ccccc1OCc2ccc(cc2)C(=O)NCc3cccnc3 CSC046120251 [0,1,0,0,0,1|2,0,0]=4 21 B27R3.169225 Clc1ccc(cc1)OCc2ccc(cc2)C(=O)NCc3cccnc3 CSC046251111 [0,1,0,0,0,1|2,0,0]=4 22 B27R3.2105629 O=C(NCc1ccccc1)c2ccc(cc2)NC(=O)c3ccccc3 CSC047746132 [0,1,0,0,0,1|2,0,0]=4 23 B27R3.5026233 CN(Cc1ccccc1)C(=O)c2ccc(cc2)COc3ccccc3 CSC047622155 [0,1,0,0,0,1|1,0,0]=3 24 B27R3.5026233 CN(Cc1ccccc1)C(=O)c2ccc(cc2)OCc3ccccc3 CSC047931622 [0,1,0,0,0,1|1,0,0]=3 25 B27R3.3672770 Clc1ccccc1Oc2ccc(cc2)S(=O)(=O)NCc3ccccn3 CSC046653100 [0,2,0,0,0,0|1,0,0]=3 26 B23R3.4569 C(Nc1ccc(cc1)Oc2ccccc2)c3ncccn3 CSC068802015 [1,0,0,0,1,0|1,0,0]=3 27 B23R3.4574 C(NCc1ccc(cc1)c2ccccc2)c3ccccc3 CSC000187288 [1,0,0,0,1,0|1,0,1]=4 28 B23R3.987 O=C(Nc1ccccc1)c2ccc(cc2)c3ccccc3 CSC046233046 [0,0,0,0,2,0|1,0,0]=3 29 B23R3.987 O=C(Nc1cccnc1)c2ccc(cc2)c3ccccc3 CSC046133050 [0,0,0,0,2,0|2,0,0]=4 30 B23R3.987 O=C(Nc1ccncc1)c2ccc(cc2)c3ccccc3 CSC046152371 [0,0,0,0,2,0|2,0,0]=4 31 B23R3.988 O=C(Nc1cnoc1)c2ccc(cc2)Oc3ccccc3 CSC048333514 [0,0,0,0,2,0|2,0,0]=4 32 B23R3.3782 O=C(NCc1ccccn1)c2cc(on2)c3ccccc3 CSC046220861 [0,0,0,0,2,0|2,0,0]=4 33 B23R3.3794 O=C(NCc1cccs1)c2ccc(cc2)c3ccccc3 CSC046253718 [0,0,0,0,2,0|1,0,0]=3 34 B23R3.3794 O=C(NCc1ccsc1)c2ccc(cc2)c3ccccc3 CSC047845262 [0,0,0,0,2,0|1,0,0]=3 35 B25R3.2065718 C(Oc1ccc(cc1)C=NNc2ccccn2)c3ccccc3 CSC046116363 [1,0,0,0,0,1|1,0,1]=4 36 B25R3.82729 O=C(Nc1ccccc1)c2ccc(cc2)COc3ccccc3 CSC046144960 [0,0,0,0,1,1|1,0,0]=3 37 B25R3.82729 O=C(Nc1ccccc1)c2ccc(cc2)OCc3ccccc3 CSC017284672 [0,0,0,0,1,1|1,0,0]=3 38 B25R3.82729 O=C(Nc1cccnc1)c2ccc(cc2)OCc3ccccc3 CSC000002891 [0,0,0,0,1,1|2,0,0]=4 39 B25R3.4894 O=C(NCc1ccccn1)c2cccc(c2)Oc3ccccc3 CSC046167731 [0,0,0,0,1,1|0,0,0]=2 40 B25R3.4894 O=C(NCc1cccnc1)c2cccc(c2)Oc3ccccc3 CSC048996051 [0,0,0,0,1,1|2,0,0]=4 41 B25R3.82670 O=C(NCCc1ccccc1)c2ccc(o2)Oc3ccccc3 CSC046088772 [0,0,0,0,1,1|2,0,0]=4 42 B25R3.82670 O=C(NCCc1cnccn1)c2ccc(o2)Oc3ccccc3 CSC047793573 [0,0,0,0,1,1|2,0,0]=4 43 B25R3.2033626 O=C(NCc1ccco1)c2ccc(cc2)C#Cc3ccccc3 CSC046142109 [0,0,0,0,1,1|2,0,0]=4 44 B25R3.2033626 O=C(NCc1ccco1)c2ccc(cc2)CSc3ccccc3 CSC046152082 [0,0,0,0,1,1|1,1,0]=4 45 B25R3.2033626 O=C(NCc1ccco1)c2ccc(cc2)OCc3ccccc3 CSC046190945 [0,0,0,0,1,1|1,0,0]=3