0 B6R0.6 C(CBr)OCCBr 6238 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C(CCO)CCBr 9446 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C(CO)NCCO 10566 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C(COCCCl)O 5879 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CCCNCCC 9551 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 COCCCCBr 8517 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C(CCN)CN 8513 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 COCCCBr 9602 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 C(CCCBr)CCCl 5780 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.1 C(CCCCl)CCO 5053 [0,1,0,0,0,0|0,0,2]=3 10 B7R0.1 C(CCCO)CCN 8387 [0,1,0,0,0,0|0,0,2]=3 11 B7R0.1 C(CN)CNCCN 8496 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCCCCBr 5952 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.3 COC(=O)CCCBr 9868 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 COC(=O)CCCN 8415 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.4 CCCC=CC(=O)[O-] 6126 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.7 CCOC(=O)CCN 8696 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.1 C1CCC(C1)CO 8627 [0,0,0,1,0,0|0,0,2]=3 18 B7R1.1 c1cc(oc1)CN F0590 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.1 o1c(ccc1)CN F0591 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.3 C1CC=CC(C1)Br 8970 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.3 C1CNCCC1F 9573 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.3 C1CNCCC1O 10611 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.3 C1CNCCC1O 5693 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.3 C1COCCC1N 8234 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 C1COCCC1N 9213 [0,0,0,1,0,0|2,0,1]=4 28 B4R0.2 C#CCCO 9231 [2,0,0,0,0,0|0,0,2]=4 29 B4R0.2 C(CN)CBr 9620 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.2 C(CO)CBr 8105 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.2 C(CO)CI 8013 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.2 C=CCCBr 5697 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.2 COCCBr 5599 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CCOC(=O)CN 10010 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.1 COC(=O)CCBr 5506 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.4 CCCCC(=O)C 9447 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.3 CCOC(=O)C(CO)N 8074 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.5 CCOC(=O)C[C@@H](C)O 8509 [0,2,0,0,0,0|1,0,0]=3 39 B6R1.1 C1CC=COC1 6859 [1,0,0,1,0,0|1,0,0]=3 40 B6R1.1 C1CSCCN1 6569 [1,0,0,1,0,0|1,1,0]=4 41 B6R1.2 C1CC(=O)C=C1 9804 [1,0,0,1,0,0|0,0,2]=4 42 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.2 C1CCC(C1)Br 6579 [1,0,0,1,0,0|1,0,1]=4 44 B6R1.2 C1COCC1O 5705 [1,0,0,1,0,0|1,0,0]=3 45 B6R1.2 C1COCC1O 6234 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.6 C1CC(C1)CO 8690 [1,0,0,1,0,0|0,0,1]=3 48 B8R1.2 C1CCNC(C1)CO 6795 [0,1,0,1,0,0|0,0,2]=4 49 B8R1.2 C1CNCCC1CO 10405 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.11 CN1C=CN=C1CO 10537 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.1 C1CC(=O)N[C@@H]1CO 10499 [0,1,0,1,0,0|1,0,0]=3 52 B8R1.1 C1CC(=O)N[C@H]1CO 9353 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,1,0,0|0,0,1]=3 54 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.3 CN1CCC(CC1)O 5494 [0,1,0,1,0,0|1,0,1]=4