0 B9R1.35 O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [1,0,0,0,0,0|0,0,1]=2 3 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 CS-0042848 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,0,1,0,0,0|2,0,0]=3 10 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,0,1,0,0,0|2,0,0]=3 11 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,1,0,0,0|1,0,1]=3 12 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,1,0,0,0|3,0,0]=4 14 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,0,1,0|0,0,2]=3 15 B10R1.13 CC(=O)N1CCC(O)CC1 CS-0044711 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,0,0,1|1,0,2]=4 19 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,0,0,1|1,0,2]=4 21 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.4 CC(O)CNCCO CS-M0804 [1,0,1,0,0,0|0,0,1]=3 23 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,1,0,0,0|0,0,2]=4 24 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,1,0,0,0|0,0,0]=2 25 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [1,0,1,0,0,0|0,0,2]=4 26 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,0,1,0,0,0|2,0,0]=4 27 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,0,1,0,0,0|0,0,2]=4 28 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [1,0,1,0,0,0|1,0,1]=4 29 B7R1.1 NCC1CCCN1 CS-0019253 [2,0,0,0,0,0|1,0,1]=4 30 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [2,0,0,0,0,0|1,0,1]=4 31 B7R1.2 NC1CCC(O)C1 CS-W005211 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,1,1,0,0,0|1,0,1]=4 34 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [1,1,0,0,0,0|0,0,0]=2 35 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,0,1,0|0,0,2]=4 36 B9R1.164 CC1(C)CC(C(=O)O)C1 CS-W021789 [0,1,0,0,1,0|1,0,0]=3 37 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 CS-0063159 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 CS-W019193 [0,1,0,0,0,1|1,0,0]=3 39 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 CS-0062618 [0,2,0,0,0,0|0,0,0]=2 40 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,0,1,1,0,0|0,0,0]=2 41 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [1,0,0,1,0,0|2,0,0]=4 42 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [0,0,1,0,1,0|2,0,0]=4 43 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,0,1,0|1,0,0]=3 44 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,0,1,0|1,0,0]=3 45 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,0,2,0|1,0,0]=3 46 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,0,2,0|1,0,0]=3 47 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,0,2,0|1,0,0]=3 48 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [1,0,0,0,0,1|2,0,0]=4 49 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [1,0,0,0,0,1|0,0,0]=2 50 B11R1.20 CC1CCC(CC(=O)O)CC1 CS-0096004 [0,0,0,0,0,2|2,0,0]=4