0 B22R3.23485149 CC(CN1C2=C(C=CC=C2)SC3=C1C=CC=C3)N(C)C MCULE-6615710182 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.23485149 CC(CN1C2=C(C=CC=C2)SC3=C1C=CC=C3)N(C)C MCULE-8146430046 [0,0,0,0,0,0|0,0,0]=0 2 B22R3.23485149 CC(CN1C2=C(C=CC=C2)SC3=C1N=CC=C3)N(C)C MCULE-3047549095 [0,0,0,0,0,0|1,0,0]=1 3 B22R3.23485149 CC(CN1C2=C(C=CC=C2)SC3=C1N=CC=C3)N(C)C MCULE-3080695562 [0,0,0,0,0,0|1,0,0]=1 4 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2432442328 [1,0,0,0,0,0|0,0,0]=1 5 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6877848962 [1,0,0,0,0,0|0,0,0]=1 6 B21R3.7877738 O=C(O)CCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5383919490 [1,0,0,0,0,0|3,0,0]=4 7 B21R3.9759201 CNC(C)CN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3162338826 [1,0,0,0,0,0|0,0,0]=1 8 B21R3.9759201 CNC(C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8922032301 [1,0,0,0,0,0|0,0,0]=1 9 B21R3.9759201 NNC(=O)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6642832515 [1,0,0,0,0,0|2,0,1]=4 10 B23R3.94854125 CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C13)N(C)C MCULE-8617127000 [0,1,0,0,0,0|0,0,1]=2 11 B23R3.151462435 CC(CN1C2=C(C=CC=C2)SC3=C1C=CC=C3)[N+](C)(C)C MCULE-1523406692 [0,1,0,0,0,0|0,0,1]=2 12 B23R3.151462435 CC(CN1C2=C(C=CC=C2)SC3=C1C=CC=C3)[N+](C)(C)C MCULE-3237607321 [0,1,0,0,0,0|0,0,1]=2 13 B23R3.151462435 CC(CN1C2=CC=CC=C2SC3=C1C=CC=C3)[N+](C)(C)C MCULE-5294884988 [0,1,0,0,0,0|0,0,1]=2 14 B21R3.13926111 CN(C)C(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-9126277852 [0,0,0,0,1,0|1,0,1]=3 15 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-3095158236 [0,0,0,0,0,1|0,0,0]=1 16 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-5182129377 [0,0,0,0,0,1|0,0,0]=1 17 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6238833953 [0,0,0,0,0,1|0,0,0]=1 18 B20R3.368533 N#CCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-7440619659 [2,0,0,0,0,0|2,0,0]=4 19 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3131107288 [2,0,0,0,0,0|2,0,0]=4 20 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8866371003 [2,0,0,0,0,0|2,0,0]=4 21 B20R3.5148346 C=C(C)CN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2387192464 [2,0,0,0,0,0|0,0,2]=4 22 B20R3.5148346 CC(=CN1C2=C(C=CC=C2)SC3=C1C=CC=C3)C MCULE-1075821381 [2,0,0,0,0,0|0,0,2]=4 23 B22R3.41063291 CC(CN(C)C)N1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9412476050 [1,1,0,0,0,0|0,0,0]=2 24 B22R3.41063291 CN(C)CC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5258478964 [1,1,0,0,0,0|0,0,1]=3 25 B22R3.41063291 CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6468255117 [1,1,0,0,0,0|0,0,1]=3 26 B24R3.78153981 CCN(CC)C(C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-1873220615 [0,2,0,0,0,0|0,0,0]=2 27 B24R3.78153981 CCN(CC)C(C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-2860573503 [0,2,0,0,0,0|0,0,0]=2 28 B24R3.1237232283 CC(CN1C2=CC=CC=C2S(=O)(=O)C3=C1C=CC=C3)N(C)C MCULE-6258639571 [0,2,0,0,0,0|0,0,1]=3 29 B24R3.1237232283 CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13)N(C)C MCULE-2907650466 [0,2,0,0,0,0|0,0,1]=3 30 B24R4.13627797 CN1CCC(C1)CN2C3=CC=CC=C3SC4=C2C=CC=C4 MCULE-8173130677 [0,0,0,1,0,1|0,0,0]=2 31 B24R4.13627797 CN1CCC(C1)CN2C3=CC=CC=C3SC4=C2C=CC=C4 MCULE-9285177897 [0,0,0,1,0,1|0,0,0]=2 32 B20R3.651490 CC(C)CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7795154777 [1,0,0,0,1,0|1,0,0]=3 33 B22R3.16170584 CN(C)CCC1SC2=CC=CC=C2OC3=C1C=CC=C3 MCULE-7118512969 [1,0,0,0,0,1|1,1,0]=4 34 B22R3.16182945 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8873728994 [1,0,0,0,0,1|1,0,0]=3 35 B22R3.16182945 CN(C)CCC=S1C2=C(C=CC=C2)CC3=C1C=CC=C3 MCULE-2325191803 [1,0,0,0,0,1|2,0,0]=4 36 B22R3.16182945 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1N=CC=C3 MCULE-5105926538 [1,0,0,0,0,1|1,0,0]=3 37 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [1,0,0,0,0,1|0,0,0]=2 38 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [1,0,0,0,0,1|0,0,0]=2 39 B22R3.41064905 CN(C)CC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1314077127 [0,0,0,0,1,1|1,0,0]=3 40 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-6027987560 [0,0,0,0,0,2|2,0,0]=4 41 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-7070824573 [0,0,0,0,0,2|2,0,0]=4 42 B24R3.115675198 CC(CN(C)C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-7231868135 [0,0,0,0,0,2|1,0,0]=3 43 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-1241711455 [0,0,0,0,0,2|1,0,0]=3 44 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-8735840899 [0,0,0,0,0,2|1,0,0]=3