0 B15R1.1350 CCC(C1=CC=CC=C1)C(C)OC(=O)C S12573 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.1350 CCN(C(=O)CC(=O)C)C1=CC=CC=C1 S514764 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.417 NC(=O)NC(=O)C(Cl)C1=CC=CC=C1 PH011640 [1,0,0,0,0,0|1,0,0]=2 3 B14R1.417 NC(=O)NC(=O)C(O)C1=CC=CC=C1 PH006968 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.540 CC/C(=N/NC(=O)N)/C1=CC=CC=C1 S829625 [1,0,0,0,0,0|1,0,1]=3 5 B14R1.604 CCOC(=O)C(CC)C1=CC=CC=C1 S361879 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.520 CC(=O)CC(=O)N1CCC2=C1C=CC=C2 S375934 [0,0,0,1,0,0|3,0,0]=4 7 B16R2.46425 CCC1(CC(=O)OC1=O)C2=CC=CC=C2 PH010104 [0,0,0,1,0,0|2,0,0]=3 8 B16R1.750 N#C/C(=C\C1=CC=CC=C1)/C(=O)NC(=O)N PH009306 [0,0,0,0,0,1|1,0,2]=4 9 B16R1.1673 CCN(C(=O)CCC(=O)O)C1=CC=CC=C1 PH000244 [0,0,0,0,0,1|3,0,0]=4 10 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [2,0,0,0,0,0|2,0,0]=4 11 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [2,0,0,0,0,0|1,0,1]=4 12 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [2,0,0,0,0,0|0,0,0]=2 13 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [2,0,0,0,0,0|1,0,0]=3 14 B13R1.348 NC(=O)NC(=S)NC1=CC=CC=C1 S862681 [2,0,0,0,0,0|1,1,0]=4 15 B13R1.532 CCC(=O)C(CC)C1=CC=CC=C1 S354570 [2,0,0,0,0,0|1,0,1]=4 16 B15R1.659 CCC(NNC(=O)C)C1=CC=C(C=C1)O PH007775 [1,1,0,0,0,0|2,0,0]=4 17 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=NC=C2 T317276 [1,0,0,1,0,0|1,0,0]=3 18 B15R2.324 CC1(NC(=O)OC1=O)C2=CC=CC=C2 PH015926 [1,0,0,1,0,0|1,0,0]=3 19 B15R2.389 O=C1CCC(C(=O)C1)C2=CC=CC=C2 PH001413 [1,0,0,1,0,0|2,0,0]=4 20 B15R2.389 O=C1NN=C(C(=O)N1)C2=CC=CC=C2 L151254 [1,0,0,1,0,0|1,0,1]=4 21 B15R2.5167 CCC1(CNC(=O)N1)C2=CC=CC=C2 T149241 [1,0,0,1,0,0|0,0,1]=3 22 B15R2.5167 CCC1(CNC(=S)N1)C2=CC=CC=C2 T149225 [1,0,0,1,0,0|0,1,1]=4 23 B15R2.6124 CCN1C(=O)OC(=O)C2=C1C=CC=C2 S657026 [1,0,0,1,0,0|2,0,0]=4 24 B17R2.39 CC(=O)CC(=O)NC1CCC2=C1C=CC=C2 S365807 [0,0,0,1,0,1|2,0,0]=4 25 B17R2.2275 CCN(C1=CC=CC=C1)C2SC(=O)NC2=O R720585 [0,0,0,1,0,1|2,0,0]=4 26 B17R2.2360 N1C(=O)NC(=O)C(C1=O)CC2=CC=CC=C2 S24466 [0,0,0,1,0,1|1,0,1]=4 27 B17R2.139510 CCN1C(=O)N(C2=CC=CC=C12)CC(=O)O T315788 [0,0,0,1,0,1|2,0,0]=4 28 B17R2.24375 CC1=CC=CC=C1N2C(=O)NC(=O)CC2C T315192 [0,1,0,1,0,0|2,0,0]=4 29 B17R2.19321 CC(C)C1(NC(=O)NC1=O)C2=NC=CC=C2 PH006965 [0,1,0,1,0,0|1,0,0]=3 30 B17R3.34638 O=C1NC(=O)C2(N1)CCC3=C2C=CC=C3 PH011263 [0,0,0,2,0,0|0,0,0]=2 31 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 PH014391 [1,0,0,0,1,0|2,0,0]=4 32 B13R1.713 CCN(NC(=O)C)C1=CC=CC=C1 PH007155 [1,0,0,0,1,0|2,0,0]=4 33 B15R1.1076 CC(=O)CC(=O)OC(C)C1=CC=CC=C1 S591718 [1,0,0,0,0,1|2,0,0]=4 34 B15R1.1078 N[C@H](C(=O)NCC(=O)O)C1=CC=CC=C1 CDS022369 [1,0,0,0,0,1|2,0,0]=4