0  B15R3.3  C1=CC2=C(C=C1)C3=C(CCNC3)N2 AC-7332 [0,0,0,0,0,0|0,0,0]=0
1  B15R3.3  C1=CC=C2C(=C1)NC3=C2CCCC3 AC-11745 [0,0,0,0,0,0|1,0,0]=1
2  B15R3.3  C1=CC=C2C(=C1)NC3=C2CCNC3 AC-17176 [0,0,0,0,0,0|2,0,0]=2
3  B16R3.2583  BrC1=CC=C2NC3=C(CCCC3)C2=C1 AC-26893 [0,1,0,0,0,0|1,0,0]=2
4  B16R3.2583  ClC1=CC=C2NC3=C(CCCC3)C2=C1 AC-26892 [0,1,0,0,0,0|1,0,0]=2
5  B16R3.2583  O=C1CCC2=C(C1)C3=CC=CC=C3N2 AC-17664 [0,1,0,0,0,0|1,0,0]=2
6  B16R3.27838  O=C1CCCC2=C1C3=C(C=CC=C3)N2 AC-6233 [0,1,0,0,0,0|1,0,1]=3
7  B14R2.3  CCCCN1C=NC2=C1C=CC=C2 AC-25499 [0,0,1,0,0,0|2,0,1]=4
8  B14R2.6  C1=CC=C(CC2CCNCC2)C=C1 AC-6673 [0,0,1,0,0,0|1,0,2]=4
9  B14R2.6  C1=CC=C(CN2CCNCC2)C=C1 AC-28091 [0,0,1,0,0,0|2,0,1]=4
10  B14R2.6  C1=CC=C(NC2CCNCC2)C=C1 AC-25621 [0,0,1,0,0,0|0,0,2]=3
11  B14R2.24  CN1CCNCC1C2=CC=CC=C2 AC-33695 [0,0,1,0,0,0|2,0,1]=4
12  B14R2.24  O=C1CCCCC1C2=CC=CC=C2 AC-18814 [0,0,1,0,0,0|2,0,1]=4
13  B14R2.67  CCCCC1=CC2=CC=CC=C2O1 AC-18725 [0,0,1,0,0,0|2,0,0]=3
14  B14R2.517  CC1=C(CC#N)C2=C(C=CC=C2)S1 AC-12337 [0,0,1,0,0,0|3,0,0]=4
15  B13R2.1  N#CCC1=CNC2=CC=CC=C12 AC-10572 [1,0,1,0,0,0|1,0,1]=4
16  B13R2.1  NCCC1=CNC2=C1C=CC=C2 AC-25536 [1,0,1,0,0,0|1,0,0]=3
17  B13R2.1  OCCC1=CNC2=CC=CC=C12 AC-3286 [1,0,1,0,0,0|1,0,0]=3
18  B13R2.3  C1=CC=C(C2=CCNCC2)C=C1 AC-16102 [1,0,1,0,0,0|2,0,0]=4
19  B13R2.26  NCCC1=NC2=CC=CC=C2N1 AC-29482 [1,0,1,0,0,0|1,0,0]=3
20  B13R2.135  CC1=C(C=O)C2=CC=CC=C2N1 AC-23428 [1,0,1,0,0,0|1,0,1]=4
21  B13R2.135  CC1=C(CCl)C2=C(C=CC=C2)S1 AC-12338 [1,0,1,0,0,0|2,0,0]=4
22  B15R2.4  [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 AC-19308 [0,1,1,0,0,0|2,0,0]=4
23  B15R2.993  CC1=C(CC(=O)O)C2=CC=CC=C2N1 AC-6734 [0,1,1,0,0,0|2,0,0]=4
24  B15R2.993  CC1=C(CN(C)C)C2=CC=CC=C2N1 AC-6733 [0,1,1,0,0,0|0,0,0]=2
25  B15R2.56717  CC1=C(CCN)C2=C(C=CC(O)=C2)N1 AC-30467 [0,1,1,0,0,0|2,0,0]=4
26  B17R3.35227  ClC1=C2CCCCC2=NC3=CC=CC=C31 AC-17534 [0,1,0,0,0,1|1,0,1]=4
27  B17R3.31627  CC1=CC2=C(C=C1)NC3=C2CN(C)CC3 AC-7652 [0,2,0,0,0,0|0,0,0]=2
28  B17R3.51120  O=C1CCCC2=C1NC3=C2C=CC=C3Br AC-33537 [0,2,0,0,0,0|1,0,1]=4
29  B17R3.4408  CN1C2=C(C=CC=C2)C3=C1CCCC3=O AC-1031 [0,2,0,0,0,0|1,0,1]=4
30  B17R3.4408  CN1C2=CC=CC=C2C3=C1CCNC3=O AC-31047 [0,2,0,0,0,0|0,0,1]=3
31  B13R2.18  ClC1=CC=CC=C1C2CCNC2 AC-29543 [0,0,1,0,1,0|1,0,1]=4