0 B26R3.529849969 C(N)(C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)C)C3=CC=CC=C3 MCULE-1987587935 [0,0,0,0,0,0|0,0,1]=1 1 B26R3.529849969 C12SC(C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9842380098 [0,0,0,0,0,0|0,0,0]=0 2 B26R3.529849969 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)C(N)C3=CC=CC=C3)C MCULE-2672389454 [0,0,0,0,0,0|0,0,0]=0 3 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9165243575 [0,0,0,0,0,0|0,0,0]=0 4 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-4548739840 [0,0,0,0,0,0|0,0,0]=0 5 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-6427082224 [0,0,0,0,0,0|0,0,0]=0 6 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-])(C)C MCULE-5702397011 [0,0,0,0,0,0|0,0,1]=1 7 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-])(C)C MCULE-5887110599 [0,0,0,0,0,0|0,0,1]=1 8 B25R3.529931862 C1(C(=O)N2C1SC(C2C(=O)O)(C)C)NC(=O)CC3=CC=CC=C3 MCULE-3899419884 [1,0,0,0,0,0|0,0,0]=1 9 B25R3.529931862 C12SC(C(N1C(=O)C2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-3955575945 [1,0,0,0,0,0|0,0,1]=2 10 B25R3.529931862 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)NC3=CC=CC=C3)C MCULE-1036636236 [1,0,0,0,0,0|1,0,0]=2 11 B25R3.529931862 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-6846784607 [1,0,0,0,0,0|0,0,1]=2 12 B25R3.529931862 CC1(S[C@@H]2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-3964370344 [1,0,0,0,0,0|0,0,0]=1 13 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-7708800117 [1,0,0,0,0,0|0,0,0]=1 14 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)CC3=CC=CC=C3)C MCULE-8147252616 [1,0,0,0,0,0|0,0,0]=1 15 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-5712256399 [1,0,0,0,0,0|0,0,1]=2 16 B25R3.529931862 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)CC3=CC=CC=C3)C MCULE-7644229995 [1,0,0,0,0,0|0,0,1]=2 17 B25R3.529931862 [C@H]12SC(C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O)(C)C MCULE-2769943386 [1,0,0,0,0,0|0,0,0]=1 18 B25R3.529931862 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-1419039665 [1,0,0,0,0,0|0,0,1]=2 19 B25R3.529931862 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-3293179256 [1,0,0,0,0,0|0,0,1]=2 20 B27R3.368466399 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-1530410000 [0,1,0,0,0,0|0,0,0]=1 21 B27R3.368466399 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-2851489988 [0,1,0,0,0,0|0,0,1]=2 22 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@@H](N)C3=CC=C(C=C3)O)C MCULE-8304090437 [0,1,0,0,0,0|0,0,0]=1 23 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@@H](N)C3=CC=C(C=C3)O)C MCULE-9731347948 [0,1,0,0,0,0|0,0,0]=1 24 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C MCULE-5710225015 [0,1,0,0,0,0|0,0,0]=1 25 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C MCULE-6369098672 [0,1,0,0,0,0|0,0,0]=1 26 B27R3.368466399 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)C(N)C3=CC=C(C=C3)O)C MCULE-5087691874 [0,1,0,0,0,0|0,0,1]=2 27 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)(C)C MCULE-3706890337 [0,1,0,0,0,0|0,0,0]=1 28 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)(C)C MCULE-5004438659 [0,1,0,0,0,0|0,0,0]=1 29 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-1089189344 [0,1,0,0,0,0|0,0,1]=2 30 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-3464348174 [0,1,0,0,0,0|0,0,1]=2 31 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-8260809699 [0,1,0,0,0,0|0,0,1]=2 32 B27R3.368466399 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)[O-])(C)C MCULE-8849446524 [0,1,0,0,0,0|0,0,1]=2 33 B27R3.1233615266 C=NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)C3=CC=CC=C3 MCULE-6173692805 [0,1,0,0,0,0|0,0,1]=2 34 B27R3.1233615266 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N=C)C3=CC=CC=C3)C(=O)O)(C)C MCULE-8764737316 [0,1,0,0,0,0|0,0,1]=2 35 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)O)(C)C MCULE-6284795039 [0,0,0,0,0,1|1,0,0]=2 36 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C MCULE-6075812232 [0,0,0,0,0,1|1,0,1]=3 37 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)[O-])(C)C MCULE-1290229080 [0,0,0,0,0,1|1,0,1]=3 38 B27R3.600296621 CC(OC1=CC=CC=C1)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)[O-])(C)C MCULE-4036365413 [0,0,0,0,0,1|1,0,1]=3 39 B27R3.600296621 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C)OC3=CC=CC=C3)C(=O)O)(C)C MCULE-1638205780 [0,0,0,0,0,1|1,0,0]=2 40 B26R2.2893427630 CC1(SC(NC1C(=O)O)C(NC(=O)C(N)C2=CC=CC=C2)C(=O)O)C MCULE-7750015983 [0,1,1,0,0,0|0,0,0]=2 41 B26R2.2893427630 CC1(SC(N[C@H]1C(=O)O)C(NC(=O)[C@H](N)C2=CC=CC=C2)C(=O)O)C MCULE-2920401824 [0,1,1,0,0,0|0,0,0]=2 42 B26R2.2893427630 CC1(SC(N[C@H]1C(=O)O)C(NC(=O)[C@H](N)C2=CC=CC=C2)C(=O)O)C MCULE-4081783493 [0,1,1,0,0,0|0,0,0]=2 43 B26R2.2893427630 CC1(S[C@@H](N[C@H]1C(=O)O)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C(=O)O)C MCULE-1669322735 [0,1,1,0,0,0|0,0,0]=2 44 B26R3.352532111 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl)C MCULE-7288037419 [1,1,0,0,0,0|1,0,0]=3 45 B26R3.695455247 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)NC3=CC=CC(=C3)Cl)C MCULE-5181698605 [1,1,0,0,0,0|1,0,0]=3 46 B26R3.1489514621 CC1(C(N2C(=O)C(C2S1=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C MCULE-9944815751 [1,1,0,0,0,0|0,0,1]=3 47 B28R3.895547198 CCC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C MCULE-2595998947 [0,1,0,0,0,1|1,0,1]=4 48 B28R3.895547198 CCC(OC1=CC=CC=C1)C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C MCULE-9787580927 [0,1,0,0,0,1|1,0,1]=4 49 B28R3.895547198 CC[C@H](OC1=CC=CC=C1)C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C MCULE-3857308136 [0,1,0,0,0,1|1,0,0]=3 50 B28R3.1031818112 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C(=C3)Cl)O)C MCULE-3935751556 [0,2,0,0,0,0|0,0,0]=2 51 B28R3.862765617 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)C(N=N#N)C3=CC=CC=C3)C MCULE-3947066270 [0,2,0,0,0,0|0,0,2]=4 52 B28R3.862765617 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)C(N=N#N)C3=CC=CC=C3)C MCULE-4509261399 [0,2,0,0,0,0|0,0,2]=4 53 B28R3.5155356400 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(C(=O)O)C3=CC=CC=C3)C MCULE-9695671919 [0,2,0,0,0,0|1,0,0]=3 54 B28R3.5155356400 CC1(SC2C(C(=O)N2C1C(=O)[O-])NC(=O)C(C(=O)[O-])C3=CC=CC=C3)C MCULE-1915149602 [0,2,0,0,0,0|1,0,1]=4 55 B28R3.5155356400 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)C(C(=O)O)C3=CC=CC=C3)C MCULE-2412505190 [0,2,0,0,0,0|1,0,0]=3 56 B28R3.5155356400 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)C(C(=O)[O-])C3=CC=CC=C3)C MCULE-2642322509 [0,2,0,0,0,0|1,0,1]=4 57 B28R3.5155356400 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)[C@@H](C(=O)[O-])C3=CC=CC=C3)C MCULE-4248399809 [0,2,0,0,0,0|1,0,1]=4 58 B28R3.5155356400 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)[O-])NC(=O)[C@@H](C(=O)[O-])C3=CC=CC=C3)C MCULE-4598698142 [0,2,0,0,0,0|1,0,1]=4 59 B28R3.5155356400 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)O)C3=CC=CC=C3)C(=O)O)(C)C MCULE-6446580846 [0,2,0,0,0,0|1,0,0]=3 60 B28R3.5155356400 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)[O-])C3=CC=CC=C3)C(=O)[O-])(C)C MCULE-6757233553 [0,2,0,0,0,0|1,0,1]=4 61 B26R3.36317278 CC1(SC(N[C@H]1C(=O)O)C2NC(=O)C(NC2=O)C3=CC=CC=C3)C MCULE-7931090516 [0,0,1,1,0,0|0,0,0]=2 62 B26R3.23654886 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)C MCULE-1853559171 [0,0,1,1,0,0|0,0,2]=4 63 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=CC=C3)C(=O)O MCULE-3991042009 [0,0,1,1,0,0|0,0,2]=4 64 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-1022568448 [0,0,1,1,0,0|0,0,2]=4 65 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-3162089804 [0,0,1,1,0,0|0,0,2]=4 66 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-4867478881 [0,0,1,1,0,0|0,0,2]=4 67 B26R3.529849978 C12SC(C(N1C(=O)C2NC(=O)COC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-6403349766 [1,0,0,0,0,1|0,0,1]=3 68 B26R3.529849978 CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)COC3=CC=CC=C3)C MCULE-1403447086 [1,0,0,0,0,1|0,0,0]=2 69 B26R3.529849978 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)COC3=CC=CC=C3)C MCULE-4295291212 [1,0,0,0,0,1|0,0,0]=2 70 B26R3.529849978 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(=O)O)(C)C MCULE-4947665530 [1,0,0,0,0,1|0,0,0]=2 71 B26R3.529849978 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-8526346696 [1,0,0,0,0,1|0,0,1]=3 72 B26R3.529849978 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(=O)[O-])(C)C MCULE-8843515808 [1,0,0,0,0,1|0,0,1]=3