0 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 Z91147666 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 Z19628284 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,0,0,0,0,0|2,1,0]=3 6 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.337 NC(=O)CCNCC1=NC=CC=N1 Z995101296 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,0,0,0,0|1,0,0]=1 12 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.337 O=C(O)C#CCOC1=CC=CC=C1 Z1235950909 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,0,0,0,0|2,0,2]=4 15 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,0,0,0,0|2,0,0]=2 17 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Z444311616 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 Z444311590 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 Z295403834 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,0,0,0,0|3,0,0]=3 29 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,0,0,0,0|3,0,0]=3 30 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,0,0,0,0,0|1,0,1]=3 35 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [1,0,0,0,0,0|2,0,0]=3 38 B14R1.148 CC(=O)NCCCC1=CC(=CC=C1)Cl Z917589792 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.148 CC(=O)OCCCC1=CC(=CC=C1)N Z1262644871 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.148 CC1=CC(=CC=C1)CNCCC(=O)O Z415636682 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.148 CC1=CC(=CC=C1)OCCCC(=O)O Z56887649 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.148 O=C(O)CCCCC1=CC(=CC=C1)O Z1262513974 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)Br Z56886433 [0,1,0,0,0,0|3,0,0]=4 44 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)F Z274763238 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)Cl Z449369192 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)F Z1695822100 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)Cl Z56753932 [0,1,0,0,0,0|3,0,0]=4 48 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)N Z278515042 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O Z235347059 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.159 N=C(N)SCCOC1=C(C=CC=C1)Cl Z48820130 [0,1,0,0,0,0|2,1,0]=4 51 B14R1.159 N=C(N)SCCOC1=C(C=CC=C1)F Z48820073 [0,1,0,0,0,0|2,1,0]=4 52 B14R1.159 NC(=NCCCC1=C(C=CC=C1)Br)N Z2693278441 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br Z295439190 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl Z285049454 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F Z274553234 [0,1,0,0,0,0|3,0,0]=4 56 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl Z444311542 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)F Z56974823 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 Z2934530053 [0,1,0,0,0,0|2,0,0]=3 59 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 Z361415342 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.420 O=C([O-])CCCC(O)C1=CC=CC=C1 Z2306083864 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,1,0,0,0,0|3,0,0]=4 62 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 Z1509064544 [0,1,0,0,0,0|0,0,0]=1 63 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,1,0,0,0,0|3,0,0]=4 64 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 Z1642061385 [0,1,0,0,0,0|2,0,0]=3 65 B14R1.677 CC(=O)NCCSC1=CC=C(C=C1)C Z90769847 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O Z361415536 [0,1,0,0,0,0|2,0,0]=3 67 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O Z56862234 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O Z285049588 [0,1,0,0,0,0|3,0,0]=4 69 B14R1.677 N=C(N)SCCOC1=CC=C(C=C1)Cl Z48820131 [0,1,0,0,0,0|2,1,0]=4 70 B14R1.677 N=C(N)SCCSC1=CC=C(C=C1)Cl Z48820360 [0,1,0,0,0,0|2,1,0]=4 71 B14R1.677 NC(=NCCSC1=CC=C(C=C1)Cl)N Z1127411793 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.677 NC(=O)CCCCC1=CC=C(C=C1)F Z1704240604 [0,1,0,0,0,0|1,0,0]=2 73 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)Br Z33546711 [0,1,0,0,0,0|2,0,0]=3 74 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)F Z278515040 [0,1,0,0,0,0|2,0,0]=3 75 B14R1.677 NC(=O)CCSCC1=CC=C(C=C1)I Z1276482268 [0,1,0,0,0,0|2,0,0]=3 76 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br Z361415666 [0,1,0,0,0,0|2,0,0]=3 77 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl Z361415664 [0,1,0,0,0,0|2,0,0]=3 78 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F Z361415604 [0,1,0,0,0,0|2,0,0]=3 79 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I Z361415654 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.677 O=C(O)CCCNC1=CC=C(C=C1)I Z362772186 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br Z56886468 [0,1,0,0,0,0|3,0,0]=4 82 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl Z274553116 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F Z235347019 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I Z381427780 [0,1,0,0,0,0|3,0,0]=4 85 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br Z390051396 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl Z56857874 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl Z444311410 [0,1,0,0,0,0|3,0,0]=4 88 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F Z444311612 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.677 O=C(O)COCCC1=CC=C(C=C1)Br Z802811836 [0,1,0,0,0,0|3,0,0]=4 90 B14R1.716 C=CC(=O)NCCSC1=CC=CC=C1 Z652690650 [0,1,0,0,0,0|3,0,0]=4 91 B14R1.716 CCC(=O)NCCCC1=CC=CC=C1 Z26437203 [0,1,0,0,0,0|2,0,0]=3 92 B14R1.716 CNC(=O)CCCOC1=CC=CC=C1 Z32016290 [0,1,0,0,0,0|2,0,0]=3 93 B14R1.716 CNC(=O)NCCNC1=CC=CC=C1 Z1334885642 [0,1,0,0,0,0|2,0,0]=3 94 B14R1.716 COC(=O)CCCSC1=CC=CC=C1 Z15777497 [0,1,0,0,0,0|3,0,0]=4 95 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 Z235349199 [0,1,0,0,0,0|3,0,0]=4 96 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 Z56862411 [0,1,0,0,0,0|2,0,0]=3 97 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 Z56755199 [0,1,0,0,0,0|3,0,0]=4 98 B14R1.716 O=C(CCl)NCCSC1=CC=CC=C1 Z90121771 [0,1,0,0,0,0|3,0,0]=4 99 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,1,0,0,0,0|2,0,1]=4 100 B14R1.818 CC(CC(=O)N)NCC1=CC=CC=C1 Z90503215 [0,1,0,0,0,0|2,0,0]=3 101 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O Z352782432 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,1,0,0,0,0|3,0,0]=4 103 B14R1.818 NC(=O)NC(=O)CSC1=CC=CC=C1 Z19750931 [0,1,0,0,0,0|2,0,1]=4 104 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O Z2832013470 [0,1,0,0,0,0|2,0,0]=3 105 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 Z1206904541 [0,1,0,0,0,0|3,0,0]=4 106 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 Z1269108857 [0,1,0,0,0,0|3,0,0]=4 107 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O Z839123502 [0,1,0,0,0,0|3,0,0]=4 108 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O Z1762658341 [0,1,0,0,0,0|3,0,0]=4 109 B14R1.6449 CC(COCC1=CC=CC=C1)C(=O)O Z431541082 [0,1,0,0,0,0|3,0,0]=4 110 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O Z431541728 [0,1,0,0,0,0|3,0,0]=4 111 B14R1.6449 CC(SCCC1=CC=CC=C1)C(=O)N Z1486300646 [0,1,0,0,0,0|2,0,0]=3 112 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,1,0,0,0,0|2,0,0]=3 113 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,1,0,0,0,0|3,0,0]=4 114 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,1,0,0,0,0|3,0,0]=4 115 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,1,0,0,0,0|3,0,0]=4 116 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 Z1262514933 [0,1,0,0,0,0|2,0,0]=3 117 B14R2.2 CC(=O)NC1CCC2=C1C=CC=C2 Z196761018 [0,0,0,1,0,0|2,0,0]=3 118 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,1,0,0|3,0,0]=4 119 B14R2.2 NC(=NC1CCC2=C1C=CC=C2)N Z1696871298 [0,0,0,1,0,0|2,0,0]=3 120 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,1,0,0|2,0,0]=3 121 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,1,0,0|2,0,0]=3 122 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,1,0,0|3,0,0]=4 123 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,1,0,0|3,0,0]=4 124 B14R2.19 NC1=CC(=NO1)CC2=CC=CC=C2 Z1255417836 [0,0,0,1,0,0|2,0,1]=4 125 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,0,1,0,0|2,0,0]=3 126 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [0,0,0,1,0,0|2,0,1]=4 127 B14R2.19 O=C1C=CN(N1)CC2=CC=CC=C2 Z1813195083 [0,0,0,1,0,0|2,0,1]=4 128 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,1,0,0|2,0,0]=3 129 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,1,0,0|1,0,0]=2 130 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,1,0,0|2,0,0]=3 131 B14R2.19 O=C1NC(=NO1)CC2=CC=NC=C2 Z992946060 [0,0,0,1,0,0|2,0,1]=4 132 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,1,0,0|2,0,0]=3 133 B14R2.19 O=C1NN=C(N1)CC2=CC=CC=C2 Z1217215136 [0,0,0,1,0,0|2,0,1]=4 134 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,1,0,0|0,0,0]=1 135 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,1,0,0|2,0,1]=4 136 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,1,0,0|2,0,1]=4 137 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [0,0,0,1,0,0|2,0,1]=4 138 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,1,0,0|2,0,0]=3 139 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,1,0,0|1,0,0]=2 140 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,1,0,0|2,0,0]=3 141 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,1,0,0|2,0,0]=3 142 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,1,0,0|2,0,0]=3 143 B14R2.333 O=S1(=O)NCCC1C2=CC=CC=C2 Z1813175701 [0,0,0,1,0,0|3,0,0]=4 144 B14R2.391 O=C1CCCCC2=C(N1)C=CC=C2 Z1255423561 [0,0,0,1,0,0|1,0,0]=2 145 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,0,1,0,0|2,0,0]=3 146 B14R2.764 O=C(O)[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4550381864 [0,0,0,1,0,0|3,0,0]=4 147 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,0,0,1,0,0|3,0,0]=4 148 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 Z826117806 [0,0,0,1,0,0|2,0,0]=3 149 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=N2 Z254451258 [0,0,0,1,0,0|3,0,0]=4 150 B14R2.31359 CC(=O)N1CCCC2=C1N=CC=C2 Z2494633004 [0,0,0,1,0,0|3,0,0]=4 151 B14R2.31359 N=C(N)C1CCCC2=C1C=CC=C2 Z1365396759 [0,0,0,1,0,0|2,0,0]=3 152 B14R2.31359 N=C(N)C1OCCC2=C1C=CC=C2 Z2194170560 [0,0,0,1,0,0|3,0,0]=4 153 B14R2.31359 NC(=O)C1CCNC2=C1C=CC=C2 Z1255503269 [0,0,0,1,0,0|2,0,0]=3 154 B14R2.31359 NC(=O)C1NCCC2=C1C=CC=C2 Z844454790 [0,0,0,1,0,0|2,0,0]=3 155 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 Z235361249 [0,0,0,1,0,0|2,0,0]=3 156 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=N2 Z3463202985 [0,0,0,1,0,0|3,0,0]=4 157 B14R2.31359 O=C(O)C1CCCC2=C1N=CC=C2 Z1889710360 [0,0,0,1,0,0|3,0,0]=4 158 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 Z2568751807 [0,0,0,1,0,0|3,0,0]=4 159 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 Z792377210 [0,0,0,1,0,0|3,0,0]=4 160 B14R2.31359 O=C(O)C1CCSC2=C1C=CC=C2 Z1262395890 [0,0,0,1,0,0|3,0,0]=4 161 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 Z255149970 [0,0,0,1,0,0|3,0,0]=4 162 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 Z255149974 [0,0,0,1,0,0|3,0,0]=4 163 B14R2.31359 O=C(O)C1SCCC2=C1C=CC=C2 Z1198158777 [0,0,0,1,0,0|3,0,0]=4 164 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,1,0|2,0,0]=3 165 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,1,0|2,0,0]=3 166 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,0,0,0,1,0|3,0,0]=4 167 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,1,0|3,0,0]=4 168 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,0,0,0,1,0|3,0,0]=4 169 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,0,0,0,1,0|2,0,1]=4 170 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,0,0,0,1,0|2,0,1]=4 171 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,0,0,0,1,0|3,0,0]=4 172 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,0,0,1,0|2,0,0]=3 173 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,0,0,1,0|2,0,0]=3 174 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,0,0,0,1,0|3,0,0]=4 175 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,1,0|1,0,0]=2 176 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,1,0|1,0,0]=2 177 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,1,0|1,0,0]=2 178 B12R1.252 NC(=O)CCSC1=NC=CC=N1 Z102922430 [0,0,0,0,1,0|3,0,0]=4 179 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,1,0|1,0,0]=2 180 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,1,0|2,0,0]=3 181 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,1,0|1,0,0]=2 182 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,1,0|1,0,0]=2 183 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,1,0|2,0,0]=3 184 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,1,0|2,0,0]=3 185 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,1,0|2,0,0]=3 186 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,0,0,1,0|1,1,0]=3 187 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,0,0,1,0|1,0,2]=4 188 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,1,0|1,0,0]=2 189 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,1,0|2,0,0]=3 190 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,1,0|2,0,0]=3 191 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,1,0|3,0,0]=4 192 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,1,0|2,0,0]=3 193 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,1,0|3,0,0]=4 194 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,1,0|2,0,0]=3 195 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,1,0|3,0,0]=4 196 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,1,0|2,0,0]=3 197 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,1,0|3,0,0]=4 198 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,1,0|3,0,0]=4 199 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,1,0|3,0,0]=4 200 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,1,0|3,0,0]=4 201 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,1,0|3,0,0]=4 202 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,1,0|3,0,0]=4 203 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,1,0|2,0,0]=3 204 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,1,0|3,0,0]=4 205 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,1,0|3,0,0]=4 206 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,1,0|3,0,0]=4 207 B14R1.422 CC(=CCCNCC1=CC=CC=C1)C Z1262611625 [0,0,0,0,0,1|3,0,0]=4 208 B14R1.422 CC(=O)NCCCSC1=CC=NC=C1 Z1478236166 [0,0,0,0,0,1|3,0,0]=4 209 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 Z424791194 [0,0,0,0,0,1|2,0,0]=3 210 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 Z1569708913 [0,0,0,0,0,1|2,0,0]=3 211 B14R1.422 O=C(O)CCCNCC1=NC=CC=C1 Z363998446 [0,0,0,0,0,1|3,0,0]=4 212 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 Z316258810 [0,0,0,0,0,1|2,0,0]=3 213 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [0,0,0,0,0,1|2,0,0]=3 214 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,0,0,0,1|1,0,2]=4 215 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 Z316259120 [0,0,0,0,0,1|2,0,0]=3 216 B14R1.422 O=C(O)CSCCCC1=CC=CC=C1 Z65517782 [0,0,0,0,0,1|1,1,0]=3 217 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [2,0,0,0,0,0|2,0,0]=4 218 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [2,0,0,0,0,0|1,0,1]=4 220 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [2,0,0,0,0,0|1,0,1]=4 221 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [2,0,0,0,0,0|1,0,1]=4 222 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [2,0,0,0,0,0|0,0,1]=3 223 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [2,0,0,0,0,0|1,0,1]=4 224 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [2,0,0,0,0,0|1,0,1]=4 225 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [2,0,0,0,0,0|1,0,1]=4 226 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [2,0,0,0,0,0|1,0,1]=4 227 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [2,0,0,0,0,0|1,0,1]=4 228 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [2,0,0,0,0,0|0,0,0]=2 229 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [2,0,0,0,0,0|1,0,0]=3 230 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [2,0,0,0,0,0|1,0,0]=3 231 B13R1.9 NCCCCCC1=CC=C(C=C1)Br Z3327815448 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.9 NCCCCCC1=CC=C(C=C1)F Z1255496234 [1,1,0,0,0,0|1,0,1]=4 234 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [1,1,0,0,0,0|1,0,1]=4 235 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.28 NCCOCCOC1=CC=CC=C1 Z594038162 [1,1,0,0,0,0|1,0,1]=4 237 B13R1.28 O=CCCCC#CC1=CC=CC=C1 Z1511742437 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.28 O=CCCCCOC1=CC=CC=C1 Z1041146860 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [1,1,0,0,0,0|1,0,1]=4 240 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [1,1,0,0,0,0|2,0,0]=4 241 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,1,0,0,1,0|2,0,0]=4 242 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,0,0,1,0|1,0,0]=3 243 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,1,0,0,1,0|2,0,0]=4 244 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,1,0,0,1,0|1,0,0]=3 245 B13R1.45 NC(=O)COC(=O)C1=CC=CC=C1 Z19825583 [0,1,0,0,1,0|1,0,1]=4 246 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,1,0,0,1,0|1,0,0]=3 247 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,1,0,0,1,0|0,0,0]=2 248 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,0,0,1,0|1,0,0]=3 249 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,1,0,0,1,0|1,0,1]=4 250 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [0,1,0,0,1,0|2,0,0]=4 251 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [0,1,0,0,1,0|2,0,0]=4 252 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [0,1,0,0,1,0|1,0,0]=3 253 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [0,1,0,0,1,0|2,0,0]=4 254 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,1,0,0,1,0|2,0,0]=4 255 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [0,1,0,0,1,0|2,0,0]=4 256 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,1,0,0,1,0|1,0,0]=3 257 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,1,0,0,1,0|1,0,0]=3 258 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [0,1,0,0,1,0|2,0,0]=4 259 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,1,0,0,1,0|1,0,0]=3 260 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,1,0,0,1,0|1,0,0]=3 261 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,1,0,0,1,0|1,0,0]=3 262 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,1,0,0,1,0|1,0,0]=3 263 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,1,0,0,1,0|1,0,0]=3 264 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,1,0,0,1,0|1,0,0]=3 265 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,0,0,1,0|1,0,0]=3 266 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,0,0,1,0|1,0,0]=3 267 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,0,0,1,0|1,0,0]=3 268 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [0,1,0,0,1,0|2,0,0]=4 269 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [0,1,0,0,1,0|2,0,0]=4 270 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [0,1,0,0,1,0|2,0,0]=4 271 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [0,1,0,0,1,0|2,0,0]=4 272 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [0,1,0,0,1,0|2,0,0]=4 273 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [0,1,0,0,1,0|2,0,0]=4 274 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [0,1,0,0,1,0|2,0,0]=4 275 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [0,1,0,0,1,0|2,0,0]=4 276 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [0,1,0,0,1,0|2,0,0]=4 277 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [0,1,0,0,1,0|2,0,0]=4 278 B13R1.158 CC(=O)NCCC1=C(C=CC=C1)C Z52314092 [0,1,0,0,1,0|2,0,0]=4 279 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,1,0,0,1,0|2,0,0]=4 280 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,1,0,0,1,0|2,0,0]=4 281 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,1,0,0,1,0|1,0,0]=3 282 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,1,0,0,1,0|2,0,0]=4 283 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,1,0,0,1,0|2,0,0]=4 284 B13R1.158 N=C(N)NCCC1=C(C=CC=C1)F Z3034036268 [0,1,0,0,1,0|2,0,0]=4 285 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,1,0,0,1,0|1,0,0]=3 286 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,1,0,0,1,0|1,0,0]=3 287 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,1,0,0,1,0|1,0,0]=3 288 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,1,0,0,1,0|1,0,0]=3 289 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,1,0,0,1,0|1,0,0]=3 290 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,0,0,1,0|1,0,0]=3 291 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,0,0,1,0|1,0,0]=3 292 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,0,0,1,0|1,0,0]=3 293 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,0,0,1,0|1,0,0]=3 294 B13R1.158 O=C(O)CCCN1C=CC=CC1=O Z285049636 [0,1,0,0,1,0|2,0,0]=4 295 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,1,0,0,1,0|2,0,0]=4 296 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,1,0,0,1,0|2,0,0]=4 297 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,1,0,0,1,0|2,0,0]=4 298 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,1,0,0,1,0|2,0,0]=4 299 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,1,0,0,1,0|2,0,0]=4 300 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,1,0,0,1,0|2,0,0]=4 301 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,1,0,0,1,0|2,0,0]=4 302 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,1,0,0,1,0|2,0,0]=4 303 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,1,0,0,1,0|2,0,0]=4 304 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,1,0,0,1,0|1,0,1]=4 305 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,1,0|2,0,0]=4 306 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,0,0,1,0|1,0,0]=3 307 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,1,0|1,0,0]=3 308 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,1,0,0,1,0|2,0,0]=4 309 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,1,0|2,0,0]=4 310 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,1,0|2,0,0]=4 311 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,1,0|2,0,0]=4 312 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,1,0,0,1,0|1,0,0]=3 313 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,1,0|2,0,0]=4 314 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,1,0|2,0,0]=4 315 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,1,0|2,0,0]=4 316 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,1,0|1,0,0]=3 317 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,1,0,0,1,0|2,0,0]=4 318 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,1,0,0,1,0|2,0,0]=4 319 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,1,0|1,0,0]=3 320 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,1,0|1,0,0]=3 321 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,1,0,0,1,0|1,0,1]=4 322 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,1,0|1,0,0]=3 323 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,0,0,1,0|1,0,0]=3 324 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,1,0,0,1,0|2,0,0]=4 325 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,1,0,0,1,0|2,0,0]=4 326 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,1,0,0,1,0|1,0,0]=3 327 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,1,0,0,1,0|2,0,0]=4 328 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,1,0,0,1,0|2,0,0]=4 329 B13R1.513 CC1=CC=C(C=C1)NCCC(=S)N Z362840678 [0,1,0,0,1,0|1,1,0]=4 330 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,1,0,0,1,0|1,0,0]=3 331 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,1,0,0,1,0|2,0,0]=4 332 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,1,0,0,1,0|2,0,0]=4 333 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,1,0,0,1,0|1,1,0]=4 334 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,1,0,0,1,0|1,0,0]=3 335 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,1,0,0,1,0|1,0,0]=3 336 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,1,0,0,1,0|1,0,0]=3 337 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,1,0,0,1,0|1,0,0]=3 338 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,1,0,0,1,0|1,0,0]=3 339 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,1,0,0,1,0|1,0,0]=3 340 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,1,0,0,1,0|1,0,0]=3 341 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,1,0,0,1,0|1,0,0]=3 342 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,0,0,1,0|1,0,0]=3 343 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,1,0,0,1,0|2,0,0]=4 344 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,0,0,1,0|1,0,0]=3 345 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,0,0,1,0|1,0,0]=3 346 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,0,0,1,0|1,0,0]=3 347 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,0,0,1,0|1,0,0]=3 348 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,1,0,0,1,0|2,0,0]=4 349 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,1,0,0,1,0|2,0,0]=4 350 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,1,0,0,1,0|2,0,0]=4 351 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,1,0,0,1,0|2,0,0]=4 352 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,1,0,0,1,0|2,0,0]=4 353 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,1,0,0,1,0|2,0,0]=4 354 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,1,0,0,1,0|2,0,0]=4 355 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,1,0,0,1,0|2,0,0]=4 356 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,1,0,0,1,0|2,0,0]=4 357 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,1,0,0,1,0|2,0,0]=4 358 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,1,0,0,1,0|2,0,0]=4 359 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,1,0,0,1,0|1,0,0]=3 360 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 Z839122596 [0,1,0,0,1,0|2,0,0]=4 361 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 Z1251373183 [0,1,0,0,1,0|2,0,0]=4 362 B15R1.119 CC1=CC(=CC=C1)OCCCCC(=O)O Z362633584 [0,1,0,0,0,1|2,0,0]=4 363 B15R1.119 NC(=O)NCCSCC1=CC(=NC=C1)Cl Z1633926338 [0,1,0,0,0,1|2,0,0]=4 364 B15R1.119 O=C(O)CCCNCC1=CC(=CC=C1)Cl Z432066896 [0,1,0,0,0,1|2,0,0]=4 365 B15R1.119 O=C(O)CCCNCC1=CC(=CC=C1)F Z594038296 [0,1,0,0,0,1|2,0,0]=4 366 B15R1.131 CC(=O)NCCSCC1=C(C=CC=C1)F Z88219333 [0,1,0,0,0,1|2,0,0]=4 367 B15R1.131 CC1=C(C=CC=C1)CNCCCC(=O)O Z540729312 [0,1,0,0,0,1|2,0,0]=4 368 B15R1.131 O=C(O)CCCNCC1=C(C=CC=C1)Cl Z951367946 [0,1,0,0,0,1|2,0,0]=4 369 B15R1.497 CC(CSCCC(=O)N)C1=CC=CC=C1 Z1615330227 [0,1,0,0,0,1|1,0,0]=3 370 B15R1.497 NC(CCCCC(=O)O)C1=CC=CC=C1 Z1270384388 [0,1,0,0,0,1|2,0,0]=4 371 B15R1.497 O=C(O)CCCCC(=O)C1=CC=CC=C1 Z424790894 [0,1,0,0,0,1|2,0,0]=4 372 B15R1.871 CC(=O)NCCSCC1=CC=C(C=C1)C Z88216693 [0,1,0,0,0,1|2,0,0]=4 373 B15R1.871 CC1=CC=C(C=C1)OCCSCC(=O)N Z45314445 [0,1,0,0,0,1|1,1,0]=4 374 B15R1.871 NC(=O)CSCCOC1=CC=C(C=C1)Br Z45306833 [0,1,0,0,0,1|1,1,0]=4 375 B15R1.871 NC(=O)CSCCOC1=CC=C(C=C1)Cl Z45313753 [0,1,0,0,0,1|1,1,0]=4 376 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)F Z424791162 [0,1,0,0,0,1|2,0,0]=4 377 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)I Z424791190 [0,1,0,0,0,1|2,0,0]=4 378 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)O Z1101449465 [0,1,0,0,0,1|2,0,0]=4 379 B15R1.871 O=C(O)CCCCOC1=CC=C(C=C1)Br Z362633550 [0,1,0,0,0,1|2,0,0]=4 380 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)Cl Z763367840 [0,1,0,0,0,1|2,0,0]=4 381 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)F Z540729206 [0,1,0,0,0,1|2,0,0]=4 382 B15R1.962 C=CC(=O)NCCCOC1=CC=CC=C1 Z979505918 [0,1,0,0,0,1|2,0,0]=4 383 B15R1.962 CCC(=O)NCCCSC1=CC=CC=C1 Z30738226 [0,1,0,0,0,1|2,0,0]=4 384 B15R1.962 CN/C(=N/CCCOC1=CC=CC=C1)/N Z1127420089 [0,1,0,0,0,1|2,0,0]=4 385 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 Z1459947037 [0,1,0,0,0,1|2,0,0]=4 386 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 Z415715900 [0,1,0,0,0,1|2,0,0]=4 387 B15R1.962 O=C(CCl)NCCCCC1=CC=CC=C1 Z258588746 [0,1,0,0,0,1|2,0,0]=4 388 B15R1.962 O=C(CCl)NCCCSC1=CC=CC=C1 Z147651676 [0,1,0,0,0,1|2,0,0]=4 389 B15R1.1081 CN(CCNC(=O)N)CC1=CC=CC=C1 Z807416550 [0,1,0,0,0,1|1,0,0]=3 390 B15R1.1081 O=C([O-])CCCC(O)CC1=CC=CC=C1 Z4609125319 [0,1,0,0,0,1|2,0,0]=4 391 B15R1.3664 CC(OCCOC1=CC=CC=C1)C(=O)O Z316259124 [0,1,0,0,0,1|2,0,0]=4 392 B15R1.3664 CC(SCCOC1=CC=CC=C1)C(=O)N Z17266239 [0,1,0,0,0,1|1,1,0]=4 393 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O Z4120966915 [0,1,0,0,0,1|2,0,0]=4 394 B15R1.3664 O=C(O)C(=O)NCCCC1=CC=CC=C1 Z600586824 [0,1,0,0,0,1|2,0,0]=4 395 B15R1.3890 NS(=O)(=O)CCCOCC1=CC=CC=C1 Z1206904539 [0,1,0,0,0,1|2,0,0]=4 396 B15R1.5919 NC(=NCC(O)CCC1=CC=CC=C1)N Z2518441045 [0,1,0,0,0,1|2,0,0]=4 397 B15R1.5919 NC(=O)COC(=O)COC1=CC=CC=C1 Z18313684 [0,1,0,0,0,1|1,0,1]=4 398 B15R1.9084 NC(=O)NC(=O)CSCC1=CC=CC=C1 Z18739605 [0,1,0,0,0,1|1,0,1]=4 399 B15R1.64 COC1=CC(=CC=C1)CSCCC(=O)N Z955204320 [0,2,0,0,0,0|2,0,0]=4 400 B15R1.888 NC(=O)CCSCC1=CC(=C(C=C1)Br)F Z1337437359 [0,2,0,0,0,0|2,0,0]=4 401 B15R1.888 NC(=O)CCSCC1=CC(=C(C=C1)Cl)F Z1797018829 [0,2,0,0,0,0|2,0,0]=4 402 B15R1.888 O=C(O)CCCCC1=CC(=C(C=C1)Cl)Cl Z389927998 [0,2,0,0,0,0|2,0,0]=4 403 B15R1.5448 NC(=O)CCSCC1=CC(=CC(=C1)F)Br Z1337436694 [0,2,0,0,0,0|2,0,0]=4 404 B15R1.8273 CC(NCCC(=O)N)C1=CC(=CC=C1)Cl Z53113200 [0,2,0,0,0,0|2,0,0]=4 405 B15R1.8448 CC1=CC(=C(C=C1)C)CSCCC(=O)N Z369459968 [0,2,0,0,0,0|2,0,0]=4 406 B15R1.8448 CC1=CC(=C(C=C1)F)CNCCC(=O)N Z1607898726 [0,2,0,0,0,0|2,0,0]=4 407 B15R1.8448 NC(=O)CCSCC1=C(C=CC(=C1)Br)F Z900454212 [0,2,0,0,0,0|2,0,0]=4 408 B15R1.256 CC1=C(C=CC=C1)CN(C)CCC(=O)N Z53115342 [0,2,0,0,0,0|2,0,0]=4 409 B15R1.256 CN(CCC(=O)N)CC1=C(C=CC=C1)Br Z53115036 [0,2,0,0,0,0|2,0,0]=4 410 B15R1.1091 CNC(=O)CCCOC1=C(C=CC=C1)Br Z434462528 [0,2,0,0,0,0|2,0,0]=4 411 B15R1.882 CC(SCCC(=O)N)C1=CC=C(C=C1)Cl Z785687054 [0,2,0,0,0,0|2,0,0]=4 412 B15R1.882 NC(CCCC(=O)O)C1=CC=C(C=C1)Br Z5168954345 [0,2,0,0,0,0|2,0,0]=4 413 B15R1.959 C=CC(=O)NCC[C@@H](O)C1=CC=CC=C1 Z3766089459 [0,2,0,0,0,0|2,0,0]=4 414 B15R1.959 C=CC(=O)NCC[C@H](O)C1=CC=CC=C1 Z3859892486 [0,2,0,0,0,0|2,0,0]=4 415 B15R1.959 CNC(=O)NCCS(=O)C1=CC=CC=C1 Z1254452906 [0,2,0,0,0,0|2,0,0]=4 416 B15R1.1078 CC(NCC(=O)N)C(C)C1=CC=CC=C1 Z1621624468 [0,2,0,0,0,0|2,0,0]=4 417 B15R1.111 CN(CCC(=O)N)CC1=CC=C(C=C1)F Z57028586 [0,2,0,0,0,0|2,0,0]=4 418 B15R1.964 C=CC(=O)NC[C@@H](O)CC1=CC=CC=C1 Z3490366462 [0,2,0,0,0,0|2,0,0]=4 419 B15R1.964 COC(=O)CCC(N)CC1=CC=CC=C1 Z1551463585 [0,2,0,0,0,0|2,0,0]=4 420 B15R1.4 COC1=CC=C(C=C1)CCCCC(=O)O Z361415678 [0,2,0,0,0,0|2,0,0]=4 421 B15R1.4 COC1=CC=C(C=C1)OCCCC(=O)N Z33546582 [0,2,0,0,0,0|2,0,0]=4 422 B15R1.4 CSC1=CC=C(C=C1)CSCCC(=O)N Z369461636 [0,2,0,0,0,0|2,0,0]=4 423 B15R1.26 C=CC(=O)NCCCC1=CC=C(C=C1)Cl Z1938105668 [0,2,0,0,0,0|2,0,0]=4 424 B15R1.26 CCC(=O)NCCCC1=CC=C(C=C1)Cl Z980214226 [0,2,0,0,0,0|2,0,0]=4 425 B15R1.26 CNC(=O)CCCSC1=CC=C(C=C1)Br Z1155390379 [0,2,0,0,0,0|2,0,0]=4 426 B15R1.26 CNC(=O)CCNCC1=CC=C(C=C1)Br Z878888738 [0,2,0,0,0,0|2,0,0]=4 427 B15R1.870 CC(CCC1=CC=C(C=C1)Br)CC(=O)O Z1041181754 [0,2,0,0,0,0|2,0,0]=4 428 B15R1.870 CC(CCC1=CC=C(C=C1)I)CC(=O)O Z1041181746 [0,2,0,0,0,0|2,0,0]=4 429 B15R1.741 CC(CCC1=CC=CC=C1)NC(=O)CCl Z56896254 [0,2,0,0,0,0|2,0,0]=4 430 B15R1.778 CCCC(=O)NCCCC1=CC=CC=C1 Z26437178 [0,2,0,0,0,0|2,0,0]=4 431 B15R1.778 CSCC(=O)NCCCC1=CC=CC=C1 Z26436449 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.1321 COC(=O)C(O)CCCC1=CC=CC=C1 Z1269030229 [0,2,0,0,0,0|2,0,0]=4 433 B15R1.3678 CC(C(=O)N)N(C)CCC1=CC=CC=C1 Z644691004 [0,2,0,0,0,0|2,0,0]=4 434 B15R1.9012 CC(C)(CCCC1=CC=CC=C1)C(=O)O Z995179750 [0,2,0,0,0,0|2,0,0]=4 435 B13R2.3 C1=CC=C(C=C1)C2CCOCN2 Z2891267780 [1,0,0,1,0,0|0,0,1]=3 436 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [1,0,0,1,0,0|1,0,1]=4 437 B13R2.15 NC1=NCCN1C2=CC=CC=C2 Z56767233 [1,0,0,1,0,0|2,0,0]=4 438 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [1,0,0,1,0,0|1,0,1]=4 439 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [1,0,0,1,0,0|1,0,0]=3 440 B13R2.15 O=C1CCCN1C2=CC=CC=C2 Z55670889 [1,0,0,1,0,0|2,0,0]=4 441 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [1,0,0,1,0,0|1,0,0]=3 442 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [1,0,0,1,0,0|2,0,0]=4 443 B13R2.15 O=C1NCCN1C2=CC=CC=C2 Z1201621797 [1,0,0,1,0,0|2,0,0]=4 444 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [1,0,0,1,0,0|0,0,0]=2 445 B13R2.15 O=C1OCCN1C2=CC=CC=C2 Z235352409 [1,0,0,1,0,0|1,0,0]=3 446 B13R2.25 O=C=NC1CC1C2=CC=CC=C2 Z1094720198 [1,0,0,1,0,0|1,0,1]=4 447 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [1,0,0,1,0,0|1,0,0]=3 448 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [1,0,0,1,0,0|1,0,1]=4 449 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [1,0,0,1,0,0|1,0,1]=4 450 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [1,0,0,1,0,0|1,0,0]=3 451 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [1,0,0,1,0,0|1,0,1]=4 452 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 Z1262691695 [1,0,0,1,0,0|1,0,1]=4 453 B13R2.1613 N/N=C\1/CCCC2=C1C=CC=C2 Z56931840 [1,0,0,1,0,0|2,0,0]=4 454 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [1,0,0,1,0,0|1,0,1]=4 455 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 Z1079132786 [1,0,0,1,0,0|1,0,0]=3 456 B13R2.1613 O=CC1CCOC2=C1C=CC=C2 Z608061286 [1,0,0,1,0,0|2,0,0]=4 457 B13R2.1613 O=CC1COCC2=C1C=CC=C2 Z1255449548 [1,0,0,1,0,0|2,0,0]=4 458 B13R2.1613 O=CN1CCCC2=C1C=CC=C2 Z1258520825 [1,0,0,1,0,0|1,0,0]=3 459 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [1,0,0,1,0,0|1,0,0]=3 460 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|2,0,0]=4 461 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [1,0,0,1,0,0|2,0,0]=4 462 B13R2.5252 O=C1CSCCC2=C1C=CC=C2 Z1407045833 [1,0,0,1,0,0|2,0,0]=4 463 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [1,0,0,1,0,0|1,0,0]=3 464 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [1,0,0,1,0,0|2,0,0]=4 465 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [1,0,0,1,0,0|2,0,0]=4 466 B13R2.5252 OB1OCCCC2=C1C=CC=C2 Z4918189532 [1,0,0,1,0,0|1,0,1]=4 467 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,1,1,0|1,0,0]=3 468 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,1,1,0|2,0,0]=4 469 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,1,1,0|2,0,0]=4 470 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,1,1,0|1,0,1]=4 471 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,1,1,0|1,0,1]=4 472 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,1,1,0|1,0,1]=4 473 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,1,1,0|2,0,0]=4 474 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,1,1,0|1,0,0]=3 475 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,1,1,0|2,0,0]=4 476 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,1,1,0|1,0,0]=3 477 B13R2.10 O=C1NC(=NO1)C2=CC=CC=C2 Z685594006 [0,0,0,1,1,0|1,0,1]=4 478 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,1,1,0|0,0,0]=2 479 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,1,1,0|1,0,0]=3 480 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,0,0,1,1,0|1,0,1]=4 481 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,1,0|0,0,0]=2 482 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 Z30624388 [0,0,0,1,1,0|2,0,0]=4 483 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,1,0|0,0,0]=2 484 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,1,1,0|1,0,0]=3 485 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,0,1,1,0|1,0,0]=3 486 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,1,0|1,0,0]=3 487 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,1,0|2,0,0]=4 488 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,1,0|2,0,0]=4 489 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,1,0|1,0,0]=3 490 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,1,0|0,0,0]=2 491 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,1,0|1,0,0]=3 492 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,0,1,1,0|1,0,0]=3 493 B13R2.163 O=C1CCNC2=C(N1)C=CC=N2 Z1142665805 [0,0,0,1,1,0|2,0,0]=4 494 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,0,1,1,0|1,0,0]=3 495 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,0,1,1,0|1,0,0]=3 496 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,0,1,1,0|1,0,0]=3 497 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,1,0|1,0,0]=3 498 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,1,0|1,0,0]=3 499 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,1,0|2,0,0]=4 500 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,1,0|2,0,0]=4 501 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,1,0|2,0,0]=4 502 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,1,0|1,0,0]=3 503 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,1,0|1,0,0]=3 504 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,1,0|2,0,0]=4 505 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,0,0,1,1,0|1,0,1]=4 506 B13R2.5569 NC(=O)C1CCCC2=C1C=CS2 Z1460887846 [0,0,0,1,1,0|2,0,0]=4 507 B15R2.6 CC(=O)NCC1CCC2=C1C=CC=C2 Z1173241291 [0,0,0,1,0,1|2,0,0]=4 508 B15R2.6 NC(=O)NCC1CSC2=C1C=CC=C2 Z2352559472 [0,0,0,1,0,1|1,0,0]=3 509 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,1,0,1|2,0,0]=4 510 B15R2.31 O=C1CC(CCN1)CC2=CC=CC=C2 Z1509151018 [0,0,0,1,0,1|2,0,0]=4 511 B15R2.31 O=C1CCCN(C1)CC2=CC=CC=C2 Z381430294 [0,0,0,1,0,1|2,0,0]=4 512 B15R2.31 O=C1CN(CCN1)CC2=CC=CC=C2 Z46334767 [0,0,0,1,0,1|2,0,0]=4 513 B15R2.31 O=C1COCC(N1)CC2=CC=CC=C2 Z1509178975 [0,0,0,1,0,1|0,0,0]=2 514 B15R2.63 NC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2301542050 [0,0,0,1,0,1|1,0,0]=3 515 B15R2.63 O=C(O)C1=C(CCC1)C2=CC=CC=C2 Z1262513359 [0,0,0,1,0,1|2,0,0]=4 516 B15R2.63 O=C(O)C1CCCC1C2=CC=CC=C2 Z1255486781 [0,0,0,1,0,1|2,0,0]=4 517 B15R2.63 O=C(O)C1CCCN1C2=CC=CC=C2 Z1416174150 [0,0,0,1,0,1|2,0,0]=4 518 B15R2.63 O=C(O)C1CCNC1C2=CC=CC=C2 Z2234185678 [0,0,0,1,0,1|2,0,0]=4 519 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z2306980862 [0,0,0,1,0,1|2,0,0]=4 520 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2309893016 [0,0,0,1,0,1|2,0,0]=4 521 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2306850629 [0,0,0,1,0,1|2,0,0]=4 522 B15R2.63 O=C(O)[C@@H]1CSC[C@H]1C2=CC=CC=C2 Z2429425592 [0,0,0,1,0,1|2,0,0]=4 523 B15R2.63 O=C(O)[C@@H]1NCC[C@H]1C2=CC=CC=C2 Z2568676758 [0,0,0,1,0,1|2,0,0]=4 524 B15R2.63 O=C(O)[C@@H]1OCC[C@@H]1C2=CC=CC=C2 Z2309897757 [0,0,0,1,0,1|1,0,0]=3 525 B15R2.283 NC1=CC(=NO1)CCC2=CC=CC=C2 Z360168598 [0,0,0,1,0,1|1,0,1]=4 526 B15R2.283 O=C1CCN(C1)CCC2=CC=CC=C2 Z415646538 [0,0,0,1,0,1|2,0,0]=4 527 B15R2.283 O=C1NC(=NO1)OCC2=CC=CC=C2 Z1509188104 [0,0,0,1,0,1|1,0,1]=4 528 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 Z1266873591 [0,0,0,1,0,1|0,0,0]=2 529 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,0,0,1,0,1|2,0,0]=4 530 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 Z1233209527 [0,0,0,1,0,1|2,0,0]=4 531 B15R2.543 O=C1CN(CCCN1)C2=CC=CC=C2 Z1483802566 [0,0,0,1,0,1|2,0,0]=4 532 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 Z1201622714 [0,0,0,1,0,1|2,0,0]=4 533 B15R2.1241 O=C(O)[C@@H]1CC[C@@H]1CC2=CC=CC=C2 Z3690696002 [0,0,0,1,0,1|2,0,0]=4 534 B15R2.68122 CC(=O)NC1CCSC2=C1C=CC=C2 Z73330046 [0,0,0,1,0,1|2,0,0]=4 535 B15R2.68122 N=C(N)CC1CCCC2=C1C=CC=C2 Z1380033014 [0,0,0,1,0,1|2,0,0]=4 536 B15R2.68122 NC(=O)CN1CCCC2=C1C=CC=C2 Z54752127 [0,0,0,1,0,1|1,0,0]=3 537 B15R2.68122 NC(=O)NC1CCCC2=C1C=CC=C2 Z198194414 [0,0,0,1,0,1|1,0,0]=3 538 B15R2.68122 NC(=O)NC1COCC2=C1C=CC=C2 Z4130782024 [0,0,0,1,0,1|1,0,0]=3 539 B15R2.68122 NC(=S)NC1CCCC2=C1C=CC=C2 Z445135488 [0,0,0,1,0,1|1,1,0]=4 540 B15R2.68122 NC(=S)NC1CCOC2=C1C=CC=C2 Z979442366 [0,0,0,1,0,1|1,1,0]=4 541 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 Z352783024 [0,0,0,1,0,1|2,0,0]=4 542 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,0,0,1,0,1|2,0,0]=4 543 B15R2.68122 O=C(O)CC1CCOC2=C1C=CC=C2 Z352783086 [0,0,0,1,0,1|2,0,0]=4 544 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 Z1278581695 [0,0,0,1,0,1|2,0,0]=4 545 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 Z1098340600 [0,0,0,1,0,1|2,0,0]=4 546 B15R2.68122 O=C(O)C[C@@H]1CCCC2=C1C=CC=C2 Z1262527526 [0,0,0,1,0,1|2,0,0]=4 547 B15R2.68122 O=C(O)C[C@H]1CCCC2=C1C=CC=C2 Z1262518724 [0,0,0,1,0,1|2,0,0]=4 548 B15R2.69183 CC(=O)N1CCCNC2=C1C=CC=C2 Z1250184772 [0,0,0,1,0,1|2,0,0]=4 549 B15R2.69183 CC(=O)N1CCCSC2=C1C=CC=C2 Z52078939 [0,0,0,1,0,1|2,0,0]=4 550 B15R2.69183 NC(=O)C1NCCOC2=C1C=CC=C2 Z1347942336 [0,0,0,1,0,1|2,0,0]=4 551 B15R2.69183 O=C(O)C1CCCCC2=C1C=CC=C2 Z792377252 [0,0,0,1,0,1|2,0,0]=4 552 B15R2.30 NC1=CC(=CC=C1)C2CCCC(=O)N2 Z2754870257 [0,1,0,1,0,0|1,0,0]=3 553 B15R2.30 O=C1CCCC(C1)C2=CC=CC(=C2)Cl Z1233207245 [0,1,0,1,0,0|2,0,0]=4 554 B15R2.377 O=C(O)CC1CCC2=C1C=CC(=C2)Br Z1269123210 [0,1,0,1,0,0|2,0,0]=4 555 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)Br Z385455852 [0,1,0,1,0,0|2,0,0]=4 556 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)C Z28078709 [0,1,0,1,0,0|2,0,0]=4 557 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)Cl Z364168150 [0,1,0,1,0,0|2,0,0]=4 558 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)N Z1162448830 [0,1,0,1,0,0|2,0,0]=4 559 B15R2.384 O=C(O)C1CCCC2=C1C=CC(=C2)O Z1198180630 [0,1,0,1,0,0|2,0,0]=4 560 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O Z1342095237 [0,1,0,1,0,0|2,0,0]=4 561 B15R2.1115 O=C1NCC(O1)CC2=CC=CC(=C2)F Z1509163663 [0,1,0,1,0,0|2,0,0]=4 562 B15R2.7151 O=C(O)C1CC1CC2=CC(=CC=C2)Br Z2733533556 [0,1,0,1,0,0|2,0,0]=4 563 B15R2.1237 O=C(O)C1CCCC2=C(C1)C=CC=C2 Z1262536404 [0,1,0,1,0,0|2,0,0]=4 564 B15R2.1660 NC(=O)CNC1CC2=C(C1)C=CC=C2 Z425812760 [0,1,0,1,0,0|2,0,0]=4 565 B15R2.1668 NC(=O)CN1CCC2=C(C1)C=CC=C2 Z54752169 [0,1,0,1,0,0|2,0,0]=4 566 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [0,1,0,1,0,0|2,0,0]=4 567 B15R2.1668 O=C(O)CC1CCC2=C(N1)C=CC=C2 Z3351996611 [0,1,0,1,0,0|2,0,0]=4 568 B15R2.13587 CC(=O)NC1CCC2=C(C=CC=C12)Br Z1081318212 [0,1,0,1,0,0|2,0,0]=4 569 B15R2.13611 O=C(O)C1CCCC2=C1C=CC=C2O Z1262555762 [0,1,0,1,0,0|2,0,0]=4 570 B15R2.59 NC(=O)C1CC(CN1)C2=CC=CC=C2 Z3102427689 [0,1,0,1,0,0|2,0,0]=4 571 B15R2.59 NC(=O)N1CCC(C1)C2=CC=CC=C2 Z940555700 [0,1,0,1,0,0|1,0,0]=3 572 B15R2.59 NC(=O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z2053902363 [0,1,0,1,0,0|1,0,0]=3 573 B15R2.59 O=C(O)C1CCC(C1)C2=CC=CC=C2 Z1255391877 [0,1,0,1,0,0|2,0,0]=4 574 B15R2.59 O=C(O)[C@@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2309988547 [0,1,0,1,0,0|2,0,0]=4 575 B15R2.59 O=C(O)[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2620379353 [0,1,0,1,0,0|2,0,0]=4 576 B15R2.59 O=C(O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z1861964101 [0,1,0,1,0,0|2,0,0]=4 577 B15R2.550 O=C1CCCC(=O)C2=C(N1)C=CC=C2 Z1509146278 [0,1,0,1,0,0|1,0,1]=4 578 B15R2.1113 CC1(COCC(=O)N1)C2=CC=CC=C2 Z1551950376 [0,1,0,1,0,0|2,0,0]=4 579 B15R2.1224 CC(=O)N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z1509234376 [0,1,0,1,0,0|2,0,0]=4 580 B15R2.14628 CC(=O)N1CCC(C2=C1C=CC=C2)N Z1222332816 [0,1,0,1,0,0|2,0,0]=4 581 B15R2.14628 CC(=O)N1CCC(C2=C1C=CC=C2)O Z1222335819 [0,1,0,1,0,0|2,0,0]=4 582 B15R2.14628 NC1CCC(C2=C1C=CC=C2)C(=O)O Z3083056441 [0,1,0,1,0,0|2,0,0]=4 583 B15R2.29 O=C1CCC(CC1)CC2=CC=CC=C2 Z1201626930 [0,1,0,1,0,0|2,0,0]=4 584 B15R2.29 O=C1CCC(CN1)CC2=CC=CC=C2 Z1509334089 [0,1,0,1,0,0|1,0,0]=3 585 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 Z1262629795 [0,1,0,1,0,0|1,0,0]=3 586 B15R2.988 CC(=O)N1CC(CC2=C1C=CC=C2)C Z1129471588 [0,1,0,1,0,0|2,0,0]=4 587 B15R2.993 CC(=O)N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z1509181971 [0,1,0,1,0,0|2,0,0]=4 588 B15R2.993 CC(=O)N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z2378832677 [0,1,0,1,0,0|2,0,0]=4 589 B15R2.993 CC1CC2=C(N1CC(=O)N)C=CC=C2 Z54847173 [0,1,0,1,0,0|2,0,0]=4 590 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)Br Z2733524040 [0,1,0,1,0,0|1,0,0]=3 591 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)O Z2732663057 [0,1,0,1,0,0|1,0,0]=3 592 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O Z1342098214 [0,1,0,1,0,0|2,0,0]=4 593 B15R2.98 O=C1N[C@@H](CO1)CC2=CC=C(C=C2)O Z220564166 [0,1,0,1,0,0|0,0,0]=2 594 B15R2.7268 CC(=O)N1CCCC2=C1C=C(C=C2)N Z970061134 [0,1,0,1,0,0|2,0,0]=4 595 B15R2.9410 CC(=O)NC1CCC2=C1C=C(C=C2)C Z1144325524 [0,1,0,1,0,0|2,0,0]=4 596 B15R2.9410 O=C(O)CC1CCC2=C1C=C(C=C2)O Z1486008032 [0,1,0,1,0,0|2,0,0]=4 597 B15R2.4 C=CC(=O)NC1CCC2=C1C=CC=C2 Z445136146 [0,1,0,1,0,0|2,0,0]=4 598 B15R2.4 C=CC(=O)N[C@@H]1CCC2=C1C=CC=C2 Z2738282639 [0,1,0,1,0,0|2,0,0]=4 599 B15R2.4 CCC(=O)NC1CCC2=C1C=CC=C2 Z195313604 [0,1,0,1,0,0|2,0,0]=4 600 B15R2.1621 C=CC(=O)N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z3788931109 [0,1,0,1,0,0|2,0,0]=4 601 B15R2.1621 C=CC(=O)N[C@@H]1C[C@H]1C2=CC=CC=C2 Z1509353116 [0,1,0,1,0,0|2,0,0]=4 602 B15R2.1621 C=CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2738282641 [0,1,0,1,0,0|2,0,0]=4 603 B15R2.79765 C=CC(=O)N1CCCC2=C1C=CC=C2 Z440633624 [0,1,0,1,0,0|2,0,0]=4 604 B15R2.79765 CNC(=O)C1CCCC2=C1C=CC=C2 Z300243698 [0,1,0,1,0,0|1,0,0]=3 605 B15R2.79765 COC(=O)C1CCCC2=C1C=CC=C2 Z308244414 [0,1,0,1,0,0|2,0,0]=4 606 B15R2.79765 NCC(=O)N1CCCC2=C1C=CC=C2 Z818732120 [0,1,0,1,0,0|1,0,0]=3 607 B15R2.79765 NCC(=O)N1CCOC2=C1C=CC=C2 Z1450067678 [0,1,0,1,0,0|2,0,0]=4 608 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 Z56896325 [0,1,0,1,0,0|2,0,0]=4 609 B15R2.79765 O=C(CO)N1CCCC2=C1C=CC=C2 Z228585450 [0,1,0,1,0,0|2,0,0]=4 610 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,1,0,1,0,0|2,0,0]=4 611 B15R2.27 O=C1CC(NC(=O)N1)C2=CC=CC=C2 Z147646946 [0,1,0,1,0,0|1,0,1]=4 612 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 Z56862344 [0,1,0,1,0,0|1,0,1]=4 613 B15R2.1162 CC(=O)N1C2=C(C=CC=C2)CCC1C Z28870646 [0,1,0,1,0,0|2,0,0]=4 614 B15R2.109405 CS(=O)(=O)OCC1CC2=C1C=CC=C2 Z1266876564 [0,1,0,1,0,0|2,0,0]=4 615 B15R2.109477 NS(=O)(=O)C1CCCC2=C1C=CC=C2 Z954606546 [0,1,0,1,0,0|2,0,0]=4 616 B15R2.109477 NS(=O)(=O)N1CCCC2=C1C=CC=C2 Z300095998 [0,1,0,1,0,0|2,0,0]=4 617 B15R2.1255 CC(C(=O)N)N1CCC2=C1C=CC=C2 Z54750516 [0,1,0,1,0,0|2,0,0]=4 618 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,1,0,1,0,0|2,0,0]=4 619 B15R2.16364 CC1(CCCC2=C1C=CC=C2)C(=O)O Z234897187 [0,1,0,1,0,0|2,0,0]=4 620 B15R3.14759 O=C1CC2=C3N1CCCC3=CC=C2 Z1198181116 [0,0,0,2,0,0|2,0,0]=4 621 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,2,0|2,0,0]=4 622 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,2,0|2,0,0]=4 623 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,2,0|1,0,0]=3 624 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,0,0,0,2,0|1,0,1]=4 625 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,0,0,0,2,0|1,0,1]=4 626 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,0,0,0,2,0|1,0,0]=3 627 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,0,0,0,2,0|2,0,0]=4 628 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,0,0,0,2,0|2,0,0]=4 629 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,0,0,0,2,0|1,1,0]=4 630 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,2,0|0,0,0]=2 631 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,2,0|1,0,0]=3 632 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,2,0|1,0,0]=3 633 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,2,0|1,0,0]=3 634 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,0,0,0,2,0|2,0,0]=4 635 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,2,0|1,0,0]=3 636 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,0,0,0,2,0|2,0,0]=4 637 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,2,0|1,0,0]=3 638 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,0,0,0,2,0|2,0,0]=4 639 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,0,0,0,2,0|2,0,0]=4 640 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,0,0,0,2,0|2,0,0]=4 641 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,2,0|0,0,0]=2 642 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,0,0,0,2,0|0,1,0]=3 643 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,0,0,0,2,0|1,1,0]=4 644 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,0,0,0,2,0|1,1,0]=4 645 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,2,0|1,0,0]=3 646 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,0,0,0,2,0|2,0,0]=4 647 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,0,0,2,0|2,0,0]=4 648 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,0,0,2,0|2,0,0]=4 649 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,2,0|2,0,0]=4 650 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,2,0|2,0,0]=4 651 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,2,0|2,0,0]=4 652 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,2,0|2,0,0]=4 653 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [0,0,0,0,2,0|2,0,0]=4 654 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,0,0,2,0|2,0,0]=4 655 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,0,0,2,0|2,0,0]=4 656 B15R1.504 N=C(N)NCCCCCC1=CC=CC=C1 Z1117843679 [0,0,0,0,0,2|2,0,0]=4 657 B15R1.504 O=C(O)CCCCC#CC1=CC=CC=C1 Z1508922384 [0,0,0,0,0,2|2,0,0]=4 658 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 Z600428434 [0,0,0,0,0,2|2,0,0]=4 659 B15R1.504 O=C(O)CCCOCCC1=CC=CC=C1 Z362795662 [0,0,0,0,0,2|2,0,0]=4