0 B17R1.2814 CC(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1 MCULE-2879952280 [0,0,0,0,0,0|1,0,0]=1 1 B17R1.2814 CC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1 MCULE-6589325600 [0,0,0,0,0,0|0,0,0]=0 2 B16R1.6944 C=C(NC(=O)C)C(=O)NCC1=CC=CC=C1 MCULE-4463331084 [1,0,0,0,0,0|0,0,2]=3 3 B16R1.6944 CC(=O)NC(C)C(=O)NCC1=NC=CC=C1 MCULE-9133669393 [1,0,0,0,0,0|1,0,0]=2 4 B16R1.6944 O=C(O)CC(O)C(=O)OCC1=CC=CC=C1 MCULE-6706147752 [1,0,0,0,0,0|3,0,0]=4 5 B18R1.25055 COC[C@@H](CC(=O)C)C(=O)NCC1=CC=CC=C1 MCULE-1676387840 [0,1,0,0,0,0|1,0,0]=2 6 B18R1.25055 COC[C@@H](NC(=O)C)C(=O)NCC1=CC=CC=C1 MCULE-5072423962 [0,1,0,0,0,0|0,0,0]=1 7 B18R1.25055 COC[C@@H](NC(=O)C)C(=O)NCC1=CC=CC=C1 MCULE-8848296606 [0,1,0,0,0,0|0,0,0]=1 8 B18R1.25055 COC[C@H](NC(=O)C)C(=O)NCC1=CC=CC=C1 MCULE-3624290126 [0,1,0,0,0,0|0,0,0]=1 9 B18R2.140 C1(NC(=O)CN(C1=O)CC2=CC=CC=C2)CC MCULE-7360965164 [0,0,0,1,0,0|1,0,0]=2 10 B18R2.140 CCC1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-4670221331 [0,0,0,1,0,0|1,0,0]=2 11 B18R2.140 CC[C@@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-8944902421 [0,0,0,1,0,0|1,0,0]=2 12 B18R2.140 CC[C@@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-9109911636 [0,0,0,1,0,0|1,0,0]=2 13 B18R2.140 O=C1CN(C(=O)[C@@H](N1)CO)CC2=CC=CC=C2 MCULE-7788214489 [0,0,0,1,0,0|0,0,0]=1 14 B18R2.140 O=C1CN(C(=O)[C@H](N1)CO)CC2=CC=CC=C2 MCULE-6085102813 [0,0,0,1,0,0|0,0,0]=1 15 B18R1.21641 O=C(O)C[C@H](CO)NC(=O)OCC1=CC=CC=C1 MCULE-2031554397 [0,0,0,0,0,1|3,0,0]=4 16 B15R1.488 CCC(CC)C(=O)NCC1=CC=CC=C1 MCULE-7282111038 [2,0,0,0,0,0|1,0,1]=4 17 B15R1.826 CCCC(C)C(=O)NCC1=CC=CC=C1 MCULE-6700809778 [2,0,0,0,0,0|1,0,1]=4 18 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 MCULE-7813767994 [2,0,0,0,0,0|2,0,0]=4 19 B15R1.5919 CC(=O)NNC(=O)CCC1=CC=CC=C1 MCULE-6913319510 [2,0,0,0,0,0|2,0,0]=4 20 B15R1.5919 CC(=O)NNC(=S)NCC1=CC=CC=C1 MCULE-8126153729 [2,0,0,0,0,0|1,1,0]=4 21 B15R1.5919 NC(=O)CCC(=O)NCC1=CC=CC=C1 MCULE-4128450165 [2,0,0,0,0,0|2,0,0]=4 22 B15R1.5919 O=C(O)CCC(=O)NCC1=CC=CC=C1 MCULE-8513990714 [2,0,0,0,0,0|2,0,0]=4 23 B17R1.16507 CC(=O)OC(C)(C)C(=O)CCC1=CC=CC=C1 MCULE-2085233795 [1,1,0,0,0,0|2,0,0]=4 24 B19R1.32771 COC[C@H](C(=O)NCC1=CC=CC=C1)N(C)C(=O)C MCULE-8229925430 [0,2,0,0,0,0|0,0,0]=2 25 B19R1.254409 CC(=O)NC(C(=O)NCC1=CC(=NC=C1)C)C(C)C MCULE-6374006723 [0,2,0,0,0,0|2,0,0]=4 26 B17R2.2342 O=C(NCC1=CC=CC=C1)C2CCCCN2 MCULE-1688283434 [1,0,0,1,0,0|1,0,1]=4 27 B17R2.2342 O=C(NCC1=CC=CC=C1)C2CCCCN2 MCULE-4064645321 [1,0,0,1,0,0|1,0,1]=4 28 B17R2.2342 O=C(NCC1=CC=CC=C1)C2CNCCN2 MCULE-9508281175 [1,0,0,1,0,0|1,0,1]=4 29 B17R2.2342 O=C(NCC1=CC=CC=C1)C2COCCN2 MCULE-2545838570 [1,0,0,1,0,0|0,0,1]=3 30 B17R2.3231 O=C1CCC(N1)C(=O)NCC2=CC=CC=C2 MCULE-6443328456 [1,0,0,1,0,0|1,0,0]=3 31 B17R2.3231 O=C1CCC(N1)C(=O)NCC2=CC=CN=C2 MCULE-7151840390 [1,0,0,1,0,0|2,0,0]=4 32 B17R2.3231 O=C1CCC(N1)C(=O)OCC2=CC=CC=C2 MCULE-7552715112 [1,0,0,1,0,0|2,0,0]=4 33 B17R2.3231 O=C1CC[C@@H](N1)C(=O)OCC2=CC=CC=C2 MCULE-3499372517 [1,0,0,1,0,0|2,0,0]=4 34 B17R2.3231 O=C1CC[C@@H](N1)C(=O)OCC2=CC=CC=C2 MCULE-5549099060 [1,0,0,1,0,0|2,0,0]=4 35 B17R2.3231 O=C1CC[C@H](N1)C(=O)OCC2=CC=CC=C2 MCULE-8157303314 [1,0,0,1,0,0|2,0,0]=4 36 B17R2.3231 O=C1CC[C@H](N1)C(=O)OCC2=CC=CC=C2 MCULE-9525110835 [1,0,0,1,0,0|2,0,0]=4 37 B17R2.245 CC(=O)NC1CCN(C1)CC2=CC=CC=C2 MCULE-3793424645 [1,0,0,1,0,0|1,0,1]=4 38 B17R2.245 CC(=O)N[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-4865719305 [1,0,0,1,0,0|1,0,1]=4 39 B17R2.245 CC(=O)N[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-8527377259 [1,0,0,1,0,0|1,0,1]=4 40 B17R2.245 CC(=O)N[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-2406326505 [1,0,0,1,0,0|1,0,1]=4 41 B17R2.19465 CC(=O)C1=C(C(=O)NC1C2=CC=CC=C2)O MCULE-4510165578 [1,0,0,1,0,0|1,0,1]=4 42 B17R2.23434 CC1CN(C(=O)C(N1)C)CC2=CC=CC=C2 MCULE-2228302313 [1,0,0,1,0,0|1,0,1]=4 43 B17R2.23434 CC1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-1175801137 [1,0,0,1,0,0|0,0,0]=2 44 B17R2.23434 C[C@@H]1CN(C(=O)[C@H](N1)C)CC2=CC=CC=C2 MCULE-5264018231 [1,0,0,1,0,0|1,0,1]=4 45 B17R2.23434 C[C@@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-3253864803 [1,0,0,1,0,0|0,0,0]=2 46 B17R2.23434 C[C@@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-5191543540 [1,0,0,1,0,0|0,0,0]=2 47 B17R2.23434 C[C@H]1CN(C(=O)[C@@H](N1)C)CC2=CC=CC=C2 MCULE-6449242594 [1,0,0,1,0,0|1,0,1]=4 48 B17R2.23434 C[C@H]1CN(C(=O)[C@@H](N1)C)CC2=CC=CC=C2 MCULE-9847012133 [1,0,0,1,0,0|1,0,1]=4 49 B17R2.23434 C[C@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-2384432621 [1,0,0,1,0,0|0,0,0]=2 50 B17R2.23434 C[C@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-8488203457 [1,0,0,1,0,0|0,0,0]=2 51 B17R2.25512 CC1(CC(=O)C1)C(=O)OCC2=CC=CC=C2 MCULE-4342050371 [1,0,0,1,0,0|2,0,0]=4 52 B17R2.44528 O=C(O)C1CC1C(=O)NCC2=CC=CC=C2 MCULE-7266046321 [1,0,0,1,0,0|2,0,0]=4 53 B17R2.3201 CC(=O)C1CCC(CC1=O)C2=CC=CC=C2 MCULE-8702835921 [0,0,0,1,1,0|2,0,0]=4 54 B17R2.20439 O=C(O)C1CCN(C1=O)CC2=CC=CC=C2 MCULE-1401032033 [0,0,0,1,1,0|2,0,0]=4 55 B17R2.45350 CC(=O)C1(CC1)C(=O)NCC2=CC=CC=C2 MCULE-6924230904 [0,0,0,1,1,0|1,0,0]=3 56 B17R2.45350 CC(=O)C1(CC1)C(=O)OCC2=CC=CC=C2 MCULE-7446617678 [0,0,0,1,1,0|2,0,0]=4 57 B17R2.45350 O=C(O)C1(CC1)C(=O)NCC2=CC=CC=C2 MCULE-7549347463 [0,0,0,1,1,0|2,0,0]=4 58 B19R2.4385 O=C1COCC(C1)NC(=O)OCC2=CC=CC=C2 MCULE-8650148758 [0,0,0,1,0,1|2,0,0]=4 59 B19R2.2602 CCCC1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-8171556005 [0,1,0,1,0,0|1,0,0]=3 60 B19R2.48722 O=C1CCCCC(N1)C(=O)NCC2=CC=CC=C2 MCULE-3114672226 [0,1,0,1,0,0|1,0,0]=3 61 B19R2.48722 O=C1CCSCC(N1)C(=O)NCC2=CC=CC=C2 MCULE-8127571925 [0,1,0,1,0,0|0,1,0]=3 62 B19R2.48722 O=C1CCSCC(N1)C(=O)NCC2=CC=CC=N2 MCULE-6444962657 [0,1,0,1,0,0|1,1,0]=4 63 B19R2.48722 O=C1CCSCC(N1)C(=O)NCC2=CC=CN=C2 MCULE-7200046415 [0,1,0,1,0,0|1,1,0]=4 64 B19R2.48722 O=C1CCSCC(N1)C(=O)NCC2=CC=NC=C2 MCULE-4542808085 [0,1,0,1,0,0|1,1,0]=4 65 B19R2.7965 O=C1CN(C(=O)[C@@H](N1)CO)CC2=CC(=CC=C2)Cl MCULE-8087426203 [0,1,0,1,0,0|0,0,0]=2 66 B19R2.17419 C[C@H](O)[C@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-3446197782 [0,1,0,1,0,0|0,0,0]=2 67 B19R3.2312182 O=C1CN(C(=O)C2(N1)CC2)CC3=CC=CC=C3 MCULE-5284840866 [0,0,0,2,0,0|1,0,0]=3 68 B15R1.3678 O=C(O)C(F)C(=O)NCC1=CC=CC=C1 MCULE-4805828851 [1,0,0,0,1,0|2,0,0]=4 69 B15R1.4532 CC(=O)/C(=N/O)/C(=O)NC1=CC=CC=C1 MCULE-8787183246 [0,0,0,0,2,0|1,0,1]=4 70 B15R1.4532 CC(=O)C(=NO)C(=O)NC1=CC=CC=C1 MCULE-3051954499 [0,0,0,0,2,0|1,0,1]=4 71 B15R1.4532 CCC(C(=O)C)C(=O)NC1=CC=CC=C1 MCULE-5225461038 [0,0,0,0,2,0|1,0,0]=3 72 B17R1.5010 CC(=O)SCC(C)C(=O)NCC1=CC=CC=C1 MCULE-5022082835 [1,0,0,0,0,1|1,0,0]=3 73 B17R1.16524 CC(=O)SC(C)CC(=O)NCC1=CC=CC=C1 MCULE-5973086533 [1,0,0,0,0,1|1,0,0]=3 74 B17R1.16524 CC(CC(=O)O)CC(=O)NCC1=CC=CC=C1 MCULE-5127690343 [1,0,0,0,0,1|2,0,0]=4 75 B17R1.19899 NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1 MCULE-7887939296 [0,0,0,0,1,1|2,0,0]=4 76 B17R1.19899 NC(=O)[C@@H](CO)NC(=O)OCC1=CC=CC=C1 MCULE-8505986329 [0,0,0,0,1,1|2,0,0]=4 77 B17R1.19899 NC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1 MCULE-4412816372 [0,0,0,0,1,1|2,0,0]=4 78 B17R1.19899 NC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1 MCULE-9236798355 [0,0,0,0,1,1|2,0,0]=4 79 B17R1.19899 O=C(NC(CO)C(=O)O)OCC1=CC=CC=C1 MCULE-4310699453 [0,0,0,0,1,1|2,0,0]=4 80 B17R1.19899 O=C(NC(CO)C(=O)O)OCC1=CC=CC=C1 MCULE-9382096938 [0,0,0,0,1,1|2,0,0]=4 81 B17R1.19899 O=C(N[C@@H](CO)C(=O)O)OCC1=CC=CC=C1 MCULE-5866606106 [0,0,0,0,1,1|2,0,0]=4 82 B17R1.19899 O=C(N[C@@H](CO)C(=O)O)OCC1=CC=CC=C1 MCULE-7544845354 [0,0,0,0,1,1|2,0,0]=4 83 B17R1.19899 O=C(N[C@H](CO)C(=O)O)OCC1=CC=CC=C1 MCULE-1088073415 [0,0,0,0,1,1|2,0,0]=4 84 B17R1.19899 O=C(N[C@H](CO)C(=O)O)OCC1=CC=CC=C1 MCULE-9569492691 [0,0,0,0,1,1|2,0,0]=4