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991
CCC1=C(C)N(CN=NC[SiH2]OC)C(C)=C1.CCC1=C(C)SC(C)=C1CN=NC[SiH2]OC
[X][(CH2)q]C1=C(C)N([(CH2)s]N=N[(CH2)t][SiH2]O[pE3-p])C(C)=C1.[X][(CH2)q]C1=C(C)SC(C)=C1[(CH2)s]N=N[(CH2)t][SiH2]O[pE3-p]
[[-5.0556,2.309],[-3.4976,2.309],[-2.7477,2.309],[-2.0344,2.5408],[-1.6595,3.1902],[-1.5936,1.9341],[-0.8437,1.9341],[0.5953,1.9341],[1.3452,1.9341],[1.978,1.9341],[3.4169,1.9341],[4.3056,1.9341],[5.0556,1.9341],[-2.0344,1.3274],[-1.6595,0.6779],[-2.7477,1.5591],[-5.0742,-1.9981],[-3.4648,-1.9981],[-2.6901,-1.9981],[-2.9295,-2.7349],[-3.6004,-3.1222],[-2.3028,-3.1902],[-1.6761,-2.7349],[-1.0052,-3.1222],[-1.9155,-1.9981],[-1.1408,-1.9981],[0.3457,-1.9981],[1.1204,-1.9981],[1.895,-1.9981],[3.3815,-1.9981],[4.2996,-1.9981],[5.0742,-1.9981]]
[[18,24,1],[24,22,2],[22,21,1],[21,19,1],[19,18,2],[24,25,1],[18,17,1],[17,16,1],[25,26,1],[28,29,1],[19,20,1],[22,23,1],[29,30,1],[30,31,1],[26,27,2],[27,28,1],[2,15,1],[15,13,2],[13,5,1],[5,3,1],[3,2,2],[2,1,1],[5,6,1],[1,0,1],[6,7,1],[9,10,1],[3,4,1],[13,14,1],[10,11,1],[11,12,1],[7,8,2],[8,9,1]]
CC1=C(F)C(S(=O)(=O)Cl)=CC([N+](=O)[O-])=C1.CC1=C(F)C(S(N)(=O)=O)=CC(N)=C1.CC1=C(F)C(S(N)(=O)=O)=CC([N+](=O)[O-])=C1.CC1=C(F)C=CC([N+](=O)[O-])=C1.O=S(=O)(O)Cl
CC1=C(F)C(S(=O)(=O)Cl)=CC([N+](=O)[O-])=C1.CC1=C(F)C(S(N)(=O)=O)=CC(N)=C1.CC1=C(F)C(S(N)(=O)=O)=CC([N+](=O)[O-])=C1.CC1=C(F)C=CC([N+](=O)[O-])=C1.O=S(=O)(O)Cl
[[-1.8592,4.3605],[-1.8592,3.5355],[-1.1447,3.123],[-0.4302,3.5355],[-1.1447,2.298],[-0.4302,1.8855],[-0.0177,1.171],[-0.8427,1.171],[0.2843,2.298],[-1.8592,1.8855],[-2.5736,2.298],[-3.2881,1.473],[-3.2881,2.298],[-2.5736,1.0605],[-2.5736,3.123],[2.8654,-5.2496],[2.8654,-6.0746],[3.5799,-6.4871],[4.2943,-6.0746],[3.5799,-7.3121],[4.2943,-7.7246],[5.0088,-7.3121],[4.7068,-8.439],[3.8818,-8.439],[2.8654,-7.7246],[2.1509,-7.3121],[1.4365,-7.7246],[2.1509,-6.4871],[-1.6165,-0.5509],[-1.6165,-1.3759],[-0.902,-1.7884],[-0.1876,-1.3759],[-0.902,-2.6134],[-0.1876,-3.0259],[0.5269,-2.6134],[0.2249,-3.7404],[-0.6001,-3.7404],[-1.6165,-3.0259],[-2.331,-2.6134],[-3.0454,-3.4384],[-3.0454,-2.6134],[-2.331,-3.8509],[-2.331,-1.7884],[-3.5799,8.439],[-3.5799,7.614],[-2.8654,7.2015],[-2.1509,7.614],[-2.8654,6.3765],[-3.5799,5.964],[-4.2943,6.3765],[-5.0088,5.5515],[-5.0088,6.3765],[-4.2943,5.139],[-4.2943,7.2015],[-0.409,7.9179],[-0.409,7.0929],[0.416,7.0929],[-0.409,6.2679],[-1.4056,7.0929]]
[[42,38,2],[38,37,1],[37,32,2],[32,30,1],[30,29,2],[29,42,1],[30,31,1],[32,33,1],[33,35,2],[33,36,2],[33,34,1],[29,28,1],[38,39,1],[39,40,2],[39,41,1],[14,10,2],[10,9,1],[9,4,2],[4,2,1],[2,1,2],[1,14,1],[2,3,1],[4,5,1],[5,6,2],[5,7,2],[5,8,1],[1,0,1],[10,11,1],[11,12,2],[11,13,1],[53,49,2],[49,48,1],[48,47,2],[47,45,1],[45,44,2],[44,53,1],[45,46,1],[49,50,1],[50,51,2],[50,52,1],[44,43,1],[58,55,1],[55,54,2],[55,56,2],[55,57,1],[27,25,2],[25,24,1],[24,19,2],[19,17,1],[17,16,2],[16,27,1],[17,18,1],[25,26,1],[19,20,1],[20,22,2],[20,23,2],[20,21,1],[16,15,1]]
*C(=O)N(*)O.*C(=O)N(*)OCOC.*NO.CC.[Li]O
*C(=O)N(*)O.*C(=O)N(*)OCO[R].*NO.[R][COCl/TEA].[Li]O
[[10.0376,-0.6103],[8.5352,-0.6103],[7.784,-1.9108],[7.0329,-0.6103],[5.5305,-0.6103],[7.784,0.6901],[-1.1502,1.3005],[-2.6526,1.3005],[-3.4038,2.6009],[-3.4038,0.0],[-4.9061,0.0],[-2.6526,-1.3005],[-1.1502,-1.3005],[-0.3991,-2.6009],[2.1221,-2.6009],[-8.3427,1.4789],[-6.8404,1.4789],[-6.0892,0.1784],[-4.1878,1.4554],[-2.6854,1.4554],[-10.0329,-0.5962],[-8.5305,-0.5962]]
[[15,16,1],[16,17,1],[18,19,1],[11,12,1],[13,14,1],[11,9,1],[9,10,1],[9,7,1],[7,6,1],[7,8,2],[12,13,1],[20,21,1],[4,3,1],[3,1,1],[3,5,1],[1,0,1],[1,2,2]]
*C1=C([H])N=C(N([H])C([1*])([H])C2=C([3*])C([3*])=C([3*])C([3*])=C2[3*])N1[7*]
*C1=C([H])N=C(N([H])C([1*])([H])C2=C([3*])C([3*])=C([3*])C([0])=C2[3*])N1[7*]
[[-3.467,0.825],[-2.7525,0.4125],[-2.7525,-0.4125],[-3.467,-0.825],[-1.9679,-0.6674],[-1.483,0.0],[-0.658,0.0],[-0.658,0.825],[0.167,0.0],[0.167,0.825],[0.167,-0.825],[0.992,0.0],[1.4045,0.7145],[0.992,1.4289],[2.2295,0.7145],[2.642,1.4289],[2.642,0.0],[3.467,0.0],[2.2295,-0.7145],[2.642,-1.4289],[1.4045,-0.7145],[0.992,-1.4289],[-1.9679,0.6674],[-1.5554,1.3819]]
[[1,2,2],[2,4,1],[4,5,2],[5,22,1],[22,1,1],[5,6,1],[6,8,1],[8,11,1],[11,20,1],[20,18,2],[18,16,1],[16,14,2],[14,12,1],[12,11,2],[16,17,1],[8,9,1],[8,10,1],[6,7,1],[22,23,1],[1,0,1],[2,3,1],[12,13,1],[14,15,1],[20,21,1],[18,19,1]]
C=C1C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
[O.]=C1C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
[[2.22,0.4678],[1.5055,0.0553],[1.5055,-0.7697],[2.22,-1.1822],[0.791,-1.1822],[0.0766,-0.7697],[-0.6379,-1.1822],[-1.3524,-0.7697],[-2.0668,-1.1822],[-0.6379,-0.3572],[-1.5055,0.0553],[-2.22,0.4678],[-0.8319,0.5315],[-1.5055,0.8803],[0.0766,0.0553],[0.791,0.4678],[1.2035,1.1822],[0.3785,1.1822]]
[[14,5,1],[5,4,1],[4,2,2],[2,1,1],[1,15,1],[15,14,1],[15,16,1],[15,17,1],[2,3,1],[1,0,2],[5,6,5],[6,7,1],[7,8,1],[7,9,1],[7,10,1],[10,11,1],[10,12,1],[10,13,1]]
CC1=CC=C(C(=O)Cl)C=C1.CCC.CCN(CC)C1=CC(C)=C(N=C=O)C=C1.[H]N(O)C(=O)C1=CC=C(C)C=C1.[H]N(OC(=O)N([H])C1=C(C)C=C(N(CC)CC)C=C1)C(=O)C1=CC=C(C)C=C1
CC1=CC=C(C(=O)Cl)C=C1.CCC.CCN(CC)C1=CC(C)=C(N=C=O)C=C1.[H]N(O)C(=O)C1=CC=C(C)C=C1.[H]N(OC(=O)N([H])C1=C(C)C=C(N(CC)CC)C=C1)C(=O)C1=CC=C(C)C=C1
[[-11.1221,3.7324],[-9.8216,4.4836],[-8.5211,3.7324],[-7.2254,4.4836],[-7.2254,5.9812],[-5.9249,6.7324],[-5.9249,8.2347],[-4.6244,5.9812],[-8.5211,6.7324],[-9.8216,5.9812],[5.8592,2.4413],[5.108,1.1408],[5.8592,-0.1596],[9.8779,-7.4836],[8.5728,-8.2347],[7.277,-7.4836],[5.9765,-8.2347],[4.6761,-7.4836],[7.277,-5.9812],[5.9765,-5.23],[5.9765,-3.7324],[4.6761,-2.9812],[7.277,-2.9812],[7.277,-1.4789],[8.5775,-0.7277],[9.8779,0.0235],[8.5728,-3.7324],[8.5728,-5.23],[9.8216,4.4836],[9.8216,5.9812],[11.1221,6.7324],[8.5211,6.7324],[8.5211,8.2347],[7.2207,5.9812],[7.2207,4.4836],[5.9249,3.7324],[4.6244,4.4836],[3.3239,3.7324],[4.6244,5.9812],[5.9249,6.7324],[-3.7089,1.4507],[-3.7089,-0.0516],[-5.0094,-0.8028],[-6.3146,-0.0516],[-6.3146,1.4507],[-7.6103,-0.8028],[-8.9108,-0.0516],[-7.6103,-2.3052],[-8.9108,-3.0563],[-10.2113,-2.3052],[-8.9108,-4.554],[-7.6103,-5.3052],[-7.6103,-6.8075],[-6.3146,-7.5587],[-5.0094,-6.8075],[-8.9108,-7.5587],[-10.2113,-6.8075],[-6.3146,-4.554],[-6.3146,-3.0563],[-2.4084,-0.8028],[-2.4084,-2.3052],[-1.108,-0.0516],[-1.108,1.4507],[0.1972,2.1972],[1.493,1.4507],[2.7934,2.1972],[1.493,-0.0516],[0.1972,-0.8028]]
[[1,2,2],[2,3,1],[3,4,2],[4,8,1],[8,9,2],[1,9,1],[1,0,1],[4,5,1],[5,7,1],[5,6,2],[36,35,2],[35,34,1],[34,33,2],[33,39,1],[39,38,2],[36,38,1],[36,37,1],[33,31,1],[31,29,1],[31,32,2],[29,30,1],[29,28,1],[10,11,1],[11,12,1],[19,18,2],[18,27,1],[27,26,2],[26,22,1],[22,20,2],[19,20,1],[20,21,1],[22,23,1],[18,15,1],[15,16,1],[15,14,1],[14,13,1],[16,17,1],[23,24,2],[24,25,2],[50,51,2],[51,57,1],[57,58,2],[58,47,1],[47,48,2],[50,48,1],[48,49,1],[47,45,1],[51,52,1],[52,55,1],[52,53,1],[53,54,1],[55,56,1],[45,46,1],[45,43,1],[43,42,1],[43,44,2],[42,41,1],[41,59,1],[41,40,1],[59,61,1],[59,60,2],[61,67,1],[67,66,2],[66,64,1],[64,63,2],[63,62,1],[61,62,2],[64,65,1]]
CC1=C(C)C(=O)C(O)C1
CC1=C(C)C(=O)C(O)C1
[[-1.3819,0.5071],[-0.6674,0.0946],[-0.0,0.5795],[-0.0,1.4045],[0.6674,0.0946],[1.3819,0.5071],[0.4125,-0.69],[0.825,-1.4045],[-0.4125,-0.69]]
[[8,6,1],[6,4,1],[4,2,1],[2,1,2],[1,8,1],[2,3,1],[1,0,1],[4,5,2],[6,7,1]]
C#CCCC(C)C.CC(C)CC(F)F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CCCC(C)C.CCCCC(C)C
C#CCCC(C)C.CC(C)CC(F)F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CCCC(C)C.CCCCC(C)C
[[-3.0094,2.5007],[-3.0094,3.3257],[-3.0094,4.1507],[-2.2949,4.5632],[-2.2949,5.3882],[-1.4699,5.3882],[-3.1199,5.3882],[1.3708,-3.4257],[0.5458,-3.4257],[-0.2792,-3.4257],[0.5458,-4.2507],[-0.1687,-4.6632],[-0.8831,-4.2507],[-0.1687,-5.4882],[-0.2587,5.3722],[0.5663,5.3722],[1.3913,5.3722],[0.5663,4.5472],[-0.1482,4.1347],[-0.9732,4.1347],[-0.5607,3.4202],[3.1379,5.4882],[3.9629,5.4882],[4.7879,5.4882],[3.9629,4.6632],[3.2485,4.2507],[2.4516,4.4642],[2.2381,3.6673],[3.0349,3.4538],[0.5691,0.622],[1.3941,0.622],[2.2191,0.622],[1.3941,-0.203],[0.6797,-0.6155],[0.6797,-1.4405],[-0.0348,-1.853],[1.3941,-1.853],[1.3941,-1.028],[3.2375,0.6606],[4.0625,0.6606],[4.8875,0.6606],[4.0625,-0.1644],[3.348,-0.5769],[3.348,-1.4019],[2.6335,-1.8144],[4.0625,-1.8144],[-4.777,-1.4985],[-4.777,-0.6735],[-4.0625,-0.261],[-4.0625,0.564],[-3.2375,0.564],[-4.8875,0.564],[-2.7941,-1.853],[-2.0796,-1.4405],[-2.0796,-0.6155],[-1.3651,-0.203],[-1.3651,0.622],[-2.1901,0.622],[-0.5401,0.622]]
[[11,12,1],[10,11,1],[10,8,1],[8,7,1],[8,9,1],[11,13,1],[49,48,1],[48,47,1],[47,46,1],[49,50,1],[49,51,1],[56,55,1],[55,54,1],[54,53,1],[53,52,1],[56,57,1],[56,58,1],[30,32,1],[32,33,1],[33,34,1],[34,35,1],[30,29,1],[30,31,1],[34,36,1],[34,37,1],[39,41,1],[41,42,1],[42,43,1],[43,44,1],[39,38,1],[39,40,1],[43,45,1],[4,3,1],[3,2,1],[2,1,1],[1,0,3],[4,5,1],[4,6,1],[14,15,1],[15,16,1],[15,17,1],[17,18,1],[18,19,1],[19,20,1],[20,18,1],[22,24,1],[24,25,1],[25,26,1],[26,27,1],[27,28,1],[28,25,1],[22,21,1],[22,23,1]]
[H]OC1=C(CC2=C3C=CC=CC3=CC=C2)C=C(C[C@]2(C(=O)OCC)C[C@@H]2C(=O)NO)C=C1
[H]OC1=C(CC2=C3C=CC=CC3=CC=C2)C=C(C[C@]2(C(=O)OCC)C[C@@H]2C(=O)NO)C=C1
[[-1.1099,-2.7602],[-0.3954,-2.3477],[-0.3954,-1.5227],[0.319,-1.1102],[1.0335,-1.5227],[1.748,-1.1102],[2.4625,-1.5227],[2.4625,-2.3477],[3.1769,-2.7602],[3.8914,-2.3477],[3.8914,-1.5227],[3.1769,-1.1102],[3.1769,-0.2852],[2.4625,0.1273],[1.748,-0.2852],[0.319,-0.2852],[-0.3954,0.1273],[-0.4,0.9188],[-1.1144,1.3313],[-0.7019,2.0457],[-1.1144,2.7602],[0.1231,2.0457],[0.5356,2.7602],[1.3606,2.7602],[-1.8289,0.9188],[-1.8289,1.7438],[-2.6539,1.7438],[-3.0664,2.4582],[-3.0664,1.0293],[-3.8914,1.0293],[-1.1099,-0.2852],[-1.1099,-1.1102]]
[[16,30,1],[30,31,2],[31,2,1],[2,3,2],[3,15,1],[15,16,2],[2,1,1],[16,17,1],[18,17,6],[19,18,1],[21,19,1],[19,20,2],[21,22,1],[18,25,1],[25,24,1],[24,18,1],[25,26,6],[28,26,1],[28,29,1],[26,27,2],[22,23,1],[1,0,1],[3,4,1],[4,5,1],[5,6,2],[6,11,1],[11,12,2],[12,13,1],[13,14,2],[14,5,1],[6,7,1],[7,8,2],[8,9,1],[9,10,2],[10,11,1]]
CNC(=O)C(C(=O)O)(C(=O)O)C(=O)N[Y]NC(=O)C(C(=O)O)(C(=O)O)C(=O)N[Y]C
CNC(=O)[X1](C(=O)O)(C(=O)O)C(=O)N[Y]NC(=O)[X2](C(=O)O)(C(=O)O)C(=O)N[Y]C
[[-4.9126,0.7145],[-3.9407,0.7145],[-3.1157,0.7145],[-3.1157,1.5395],[-2.7032,0.0],[-3.1157,-0.7145],[-3.1157,-1.5395],[-3.9407,-0.7145],[-2.2907,-0.7145],[-2.2907,-1.5395],[-1.4657,-0.7145],[-2.2907,0.7145],[-2.2907,1.5395],[-1.4657,0.7145],[-0.6407,0.7145],[0.7876,0.7145],[1.6126,0.7145],[1.6126,1.5395],[2.0251,0.0],[1.6126,-0.7145],[1.6126,-1.5395],[0.7876,-0.7145],[2.4376,-0.7145],[2.4376,-1.5395],[3.2626,-0.7145],[2.4376,0.7145],[2.4376,1.5395],[3.2626,0.7145],[4.0876,0.7145],[4.9126,0.7145]]
[[0,1,1],[1,2,1],[2,4,1],[2,3,2],[4,5,1],[5,7,1],[5,6,2],[4,11,1],[4,8,1],[11,13,1],[11,12,2],[8,10,1],[8,9,2],[13,14,1],[14,15,1],[15,16,1],[16,18,1],[16,17,2],[18,19,1],[19,21,1],[19,20,2],[18,25,1],[18,22,1],[25,27,1],[25,26,2],[22,24,1],[22,23,2],[27,28,1],[28,29,1]]
CC(=O)NC1=CC(N2N=NN=C2S)=CC=C1.SC1=NN=NN1C1=CC=CC=C1
CC(=O)NC1=CC(N2N=NN=C2S)=CC=C1.SC1=NN=NN1C1=CC=CC=C1
[[-0.0648,-1.8723],[0.6496,-1.4598],[0.6496,-0.6348],[1.3641,-1.8723],[2.0786,-1.4598],[2.0786,-0.6348],[2.793,-0.2223],[2.793,0.6027],[2.1256,1.0877],[2.3805,1.8723],[3.2055,1.8723],[3.4605,1.0877],[4.1749,0.6752],[3.5075,-0.6348],[3.5075,-1.4598],[2.793,-1.8723],[-2.0786,0.6752],[-2.793,1.0877],[-3.048,1.8723],[-3.873,1.8723],[-4.1279,1.0877],[-3.4605,0.6027],[-3.4605,-0.2223],[-2.746,-0.6348],[-2.746,-1.4598],[-3.4605,-1.8723],[-4.1749,-1.4598],[-4.1749,-0.6348]]
[[5,4,2],[4,15,1],[15,14,2],[14,13,1],[13,6,2],[6,5,1],[6,7,1],[7,11,1],[11,10,2],[10,9,1],[9,8,2],[8,7,1],[11,12,1],[4,3,1],[3,1,1],[1,0,1],[1,2,2],[27,26,2],[26,25,1],[25,24,2],[24,23,1],[23,22,2],[22,27,1],[22,21,1],[21,17,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[17,16,1]]
CC[C@H](C)[C@H](NC(=O)C1CCCCN1C(C)C)C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C
CC[C@H](C)[C@H](NC(=O)C1CCCCN1C(C)C)C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C
[[-1.4289,1.8563],[-1.4289,1.0313],[-0.7145,0.6187],[0.0,1.0313],[-0.7145,-0.2062],[-1.4289,-0.6187],[-2.1434,-0.2062],[-2.1434,0.6187],[-2.8579,-0.6187],[-2.8579,-1.4437],[-3.5724,-1.8562],[-4.2868,-1.4437],[-4.2868,-0.6187],[-3.5724,-0.2062],[-3.5724,0.6188],[-4.2868,1.0313],[-2.8579,1.0313],[-0.0,-0.6187],[-0.0,-1.4437],[0.7145,-0.2062],[0.7145,0.6187],[1.4289,-0.6187],[2.1434,-0.2062],[2.8579,-0.6187],[2.8579,-1.4437],[3.5724,-0.2062],[3.5724,0.6187],[4.2868,-0.6187],[1.4289,-1.4437],[2.1434,-1.8563],[0.7145,-1.8563]]
[[6,8,5],[5,6,1],[4,5,1],[17,4,1],[19,17,1],[6,7,2],[4,2,5],[17,18,2],[19,21,1],[21,22,1],[21,28,6],[28,29,1],[28,30,1],[22,23,2],[23,24,1],[23,25,1],[25,27,1],[25,26,2],[8,13,1],[13,12,1],[12,11,1],[11,10,1],[10,9,1],[9,8,1],[13,14,1],[14,15,1],[14,16,1],[2,3,6],[2,1,1],[1,0,1],[19,20,1]]
C*C1=CC(C)=C(C)C=C1.CC.[V]I
[Ar]*C1=CC([R])=C([R])C=C1.C[R4].[V]I
[[4.6573,-1.3803],[3.3568,-2.1315],[2.0563,-1.3803],[0.7606,-2.1315],[-0.5399,-1.3803],[-1.8404,-2.1315],[-0.5399,0.1221],[-1.8404,0.8732],[0.7606,0.8732],[2.0563,0.1221],[1.1362,0.0188],[1.892,1.3192],[-3.1549,2.1315],[-4.6573,2.1315]]
[[4,6,2],[4,3,1],[3,2,2],[2,9,1],[9,8,2],[6,8,1],[2,1,1],[1,0,1],[6,7,1],[4,5,1],[10,11,1],[13,12,1]]
Cl.N=C(N)N.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)N=C(N)N)=C1.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)OC)=C1
Cl.N=C(N)N.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)N=C(N)N)=C1.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)OC)=C1
[[3.2198,4.1645],[2.8948,5.402],[2.1803,4.9895],[1.4659,5.402],[2.1803,4.1645],[5.3521,-6.9866],[4.5271,-6.9866],[4.1146,-7.7011],[4.5271,-8.4155],[3.2896,-7.7011],[2.8771,-8.4155],[2.8771,-6.9866],[2.0521,-6.9866],[3.2896,-6.2721],[4.1146,-6.2721],[4.5271,-5.5576],[4.1146,-4.8432],[4.5271,-4.1287],[4.829,-5.2557],[3.2896,-4.8432],[2.8771,-5.5576],[2.0521,-5.5576],[1.6396,-4.8432],[0.8146,-4.8432],[2.0521,-4.1287],[1.6396,-3.4142],[0.8146,-3.4142],[2.0521,-2.6998],[2.8771,-2.6998],[3.2896,-1.9853],[3.2896,-3.4142],[2.8771,-4.1287],[-0.8146,3.4142],[-1.6396,3.4142],[-2.0521,2.6998],[-1.6396,1.9853],[-2.8771,2.6998],[-3.2896,1.9853],[-3.2896,3.4142],[-4.1146,3.4142],[-2.8771,4.1287],[-2.0521,4.1287],[-1.6396,4.8432],[-2.0521,5.5576],[-1.6396,6.2721],[-1.3376,5.1451],[-2.8771,5.5576],[-3.2896,4.8432],[-4.1146,4.8432],[-4.5271,5.5576],[-5.3521,5.5576],[-4.1146,6.2721],[-4.5271,6.9866],[-5.3521,6.9866],[-4.1146,7.7011],[-4.5271,8.4155],[-3.2896,6.2721]]
[[27,28,2],[27,25,1],[25,26,2],[25,24,1],[28,29,1],[28,30,1],[24,22,1],[22,21,2],[21,20,1],[20,19,2],[19,31,1],[31,24,2],[20,13,1],[13,14,2],[14,15,1],[15,16,1],[16,19,1],[13,11,1],[11,9,2],[9,7,1],[7,6,2],[6,14,1],[11,12,1],[6,5,1],[9,10,1],[7,8,1],[16,17,2],[16,18,2],[22,23,1],[2,3,1],[1,2,2],[2,4,1],[56,51,2],[51,49,1],[49,48,2],[48,47,1],[47,46,2],[46,56,1],[51,52,1],[52,54,1],[54,55,1],[52,53,2],[49,50,1],[47,40,1],[40,41,2],[41,42,1],[42,43,1],[43,46,1],[40,38,1],[38,36,2],[36,34,1],[34,33,2],[33,41,1],[43,44,2],[43,45,2],[38,39,1],[33,32,1],[36,37,1],[34,35,1]]
COC(=O)N[Y]NC(=O)OC
COC(=O)N[Y]NC(=O)OC
[[-3.5665,-0.4125],[-2.7415,-0.4125],[-1.9165,-0.4125],[-1.9165,0.4125],[-1.0915,-0.4125],[0.0,-0.4125],[0.825,-0.4125],[1.9165,-0.4125],[1.9165,0.4125],[2.7415,-0.4125],[3.5665,-0.4125]]
[[0,1,1],[1,2,1],[2,4,1],[4,5,1],[5,6,1],[6,7,1],[7,9,1],[9,10,1],[7,8,2],[2,3,2]]
NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)/C=C/C=C\1N2CC1=CC=CC=C1.NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)\C=C/C(F)=C\1N2CC1=CC=CC=C1
NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)/C=C/C=C\1N2CC1=CC=CC=C1.NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)\C=C/C(F)=C\1N2CC1=CC=CC=C1
[[0.4635,6.6106],[0.051,5.8961],[-0.6635,6.3086],[0.4635,5.1817],[1.2705,5.0101],[1.5254,4.2255],[0.9734,3.6124],[0.1664,3.784],[-0.0885,4.5686],[-0.9135,4.5686],[-1.4656,5.1817],[-1.0531,5.8961],[-1.4656,6.6106],[-1.0531,7.3251],[-1.4656,8.0396],[-0.3386,6.9126],[-2.2725,5.0101],[-2.5275,4.2255],[-1.9754,3.6124],[-1.1685,3.784],[-0.501,3.299],[-0.501,2.474],[0.2134,2.0615],[0.2134,1.2365],[0.9279,0.824],[1.6424,1.2365],[1.6424,2.0615],[0.9279,2.474],[1.3486,-2.253],[0.9361,-2.9674],[0.2216,-2.5549],[1.3486,-3.6819],[2.1556,-3.8534],[2.4105,-4.6381],[1.8585,-5.2512],[1.0515,-5.0796],[0.7966,-4.295],[-0.0284,-4.295],[-0.5805,-3.6819],[-0.168,-2.9674],[-0.5805,-2.253],[-0.168,-1.5385],[-0.5805,-0.824],[0.5465,-1.951],[-1.3874,-3.8534],[-1.6424,-4.6381],[-1.0904,-5.2512],[-1.5029,-5.9656],[-0.2834,-5.0796],[0.3841,-5.5646],[0.3841,-6.3896],[1.0985,-6.8021],[1.0985,-7.6271],[1.813,-8.0396],[2.5275,-7.6271],[2.5275,-6.8021],[1.813,-6.3896]]
[[42,41,2],[41,40,1],[40,39,1],[39,38,1],[41,43,1],[36,37,1],[37,48,1],[48,49,1],[49,35,1],[35,36,2],[37,38,2],[38,44,1],[44,45,2],[45,46,1],[46,48,2],[35,34,1],[34,33,2],[33,32,1],[32,31,2],[31,36,1],[31,29,1],[29,28,1],[29,30,2],[49,50,1],[50,51,1],[51,52,2],[52,53,1],[53,54,2],[54,55,1],[55,56,2],[56,51,1],[46,47,1],[14,13,2],[13,12,1],[12,11,1],[11,10,1],[13,15,1],[8,9,1],[9,19,1],[19,20,1],[20,7,1],[7,8,2],[9,10,2],[10,16,1],[16,17,2],[17,18,1],[18,19,2],[7,6,1],[6,5,2],[5,4,1],[4,3,2],[3,8,1],[3,1,1],[1,0,1],[1,2,2],[20,21,1],[21,22,1],[22,23,2],[23,24,1],[24,25,2],[25,26,1],[26,27,2],[27,22,1]]
[2*]/C(CCC)=C(\[3*])[4*]
[2*]/C([(R1)m][(Y)n]C)=C(\[3*])[4*]
[[0.8444,0.4125],[0.8444,-0.4125],[-0.4679,-0.4125],[-1.6694,-0.4125],[-2.4944,-0.4125],[1.6694,-0.4125],[1.6694,0.4125],[2.4944,-0.4125]]
[[4,3,1],[3,2,1],[2,1,1],[1,5,2],[1,0,1],[5,6,1],[5,7,1]]
CC.[2*]C1=C(CC2=CC=CC=C2)OC2=CC=C[3H]=C2/C1=N/O
C[(ZRx)x].[2*]C1=C([(L)m]C2=CC=CC=C2)OC2=[A3][A2]=[A1][3H]=C2/C1=N/O
[[2.6046,-0.5712],[3.3194,-0.1592],[0.253,0.8729],[-0.4615,0.4604],[-0.4615,-0.3646],[0.253,-0.7771],[1.4222,-0.7771],[1.8347,-1.4916],[2.6597,-1.4916],[3.0717,-0.7774],[2.6597,-0.0627],[1.8347,-0.0627],[-1.176,-0.7771],[-1.8904,-0.3646],[-2.6049,-0.7771],[-3.3194,-0.3646],[-3.3194,0.4604],[-2.6049,0.8729],[-1.8904,0.4604],[-1.176,0.8729],[-0.8187,1.4916],[-0.1043,1.0791]]
[[18,13,1],[13,12,1],[12,4,1],[4,3,2],[3,19,1],[19,18,1],[18,17,2],[17,16,1],[16,15,2],[15,14,1],[14,13,2],[3,2,1],[4,5,1],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[11,6,1],[19,20,2],[20,21,1],[0,1,1]]
CC1=CC(F)=CC([C@@H](C)O)=C1.CFF
[CF3]C1=CC(F)=CC([C@@H](C)O)=C1.CFF
[[-1.7862,1.1688],[-1.0717,0.7563],[-1.0717,-0.0687],[-0.3572,-0.4812],[-0.151,-1.9938],[0.3572,-0.0687],[0.3572,0.7563],[1.0717,1.1688],[1.7862,0.7563],[1.0717,1.9938],[-0.3572,1.1688],[-0.8935,-0.3438],[-0.179,0.0687],[0.5355,-0.3438]]
[[1,2,2],[2,3,1],[3,5,2],[5,6,1],[6,10,2],[10,1,1],[6,7,1],[7,9,6],[1,0,1],[7,8,1],[3,4,1],[13,12,1],[12,11,1]]
[1*]N(C)C(C)=O.[1*]N(C)C(C)=O
[1*]N(C)C(C)=O.[1*]N(C)C(C)=O
[[-2.2726,-0.825],[-2.2726,0.0],[-3.0976,0.0],[-1.4476,0.0],[-0.6226,0.0],[-1.4476,0.825],[2.2726,-0.825],[2.2726,0.0],[3.0976,0.0],[1.4476,0.0],[0.6226,0.0],[1.4476,0.825]]
[[2,1,1],[1,3,1],[3,4,1],[3,5,2],[1,0,1],[10,9,1],[9,7,1],[7,8,1],[9,11,2],[7,6,1]]
O=C(O)c1ccc(C(=O)O)c(NOCc2ccc(Oc3ccc(O(O)Sc4ccc(Oc5ccc(C(=O)Nc6cc(C(=O)O)ccc6C(=O)O)cc5)cc4)cc3)cc2)c1
O=C(O)c1ccc(C(=O)O)c(NOCc2ccc(Oc3ccc(O(O)Sc4ccc(Oc5ccc(C(=O)Nc6cc(C(=O)O)ccc6C(=O)O)cc5)cc4)cc3)cc2)c1
[[10.4034,0.0003],[9.9909,-0.7141],[10.4034,-1.4286],[9.1668,-0.7161],[9.5793,-0.0016],[9.1668,0.7129],[8.3418,0.7129],[7.9284,0.7141],[8.3409,1.4286],[8.3409,-0.0003],[7.9293,-0.0016],[7.5298,0.6912],[7.1173,1.4057],[6.2923,1.4057],[5.508,-0.0016],[5.0955,-0.7161],[4.2705,-0.7161],[3.858,-0.0016],[2.9847,-0.0016],[2.1597,-0.0016],[1.7472,-0.7161],[0.9222,-0.7161],[0.5097,-0.0016],[-0.5666,-0.0435],[-0.5666,0.7815],[-1.2811,-0.456],[-1.3788,-0.0016],[-1.7913,-0.7161],[-2.6163,-0.7161],[-3.0288,-0.0016],[-3.8538,-0.0016],[-4.6788,-0.0016],[-5.0913,-0.7161],[-5.9163,-0.7161],[-6.3288,-0.0016],[-8.8263,0.4854],[-9.5408,0.0729],[-8.1118,0.0729],[-8.7511,-0.0016],[-9.1636,-0.7161],[-9.9886,-0.7161],[-10.4034,-0.7141],[-9.9909,0.0003],[-9.9909,-1.4286],[-10.4011,-0.0016],[-9.9886,0.7129],[-9.1636,0.7129],[-8.3409,0.7141],[-7.9284,1.4286],[-7.9284,-0.0003],[-5.9163,0.7129],[-5.0913,0.7129],[-2.6163,0.7129],[-1.7913,0.7129],[0.9222,0.7129],[1.7472,0.7129],[4.2705,0.7129],[5.0955,0.7129],[8.3418,-0.7161]]
[[40,39,4],[39,38,4],[38,46,4],[46,45,4],[45,44,4],[44,40,4],[34,33,4],[33,32,4],[32,31,4],[31,51,4],[51,50,4],[50,34,4],[31,30,1],[17,16,4],[16,15,4],[15,14,4],[14,57,4],[57,56,4],[56,17,4],[10,58,4],[58,3,4],[3,4,4],[4,5,4],[5,6,4],[6,10,4],[30,29,1],[29,28,4],[28,27,4],[27,26,4],[26,53,4],[53,52,4],[52,29,4],[22,21,4],[21,20,4],[20,19,4],[19,55,4],[55,54,4],[54,22,4],[19,18,1],[18,17,1],[46,47,1],[47,48,2],[47,49,1],[38,37,1],[34,35,1],[35,36,2],[35,37,1],[14,13,1],[10,11,1],[11,12,1],[12,13,1],[6,7,1],[7,8,2],[7,9,1],[26,25,1],[22,23,1],[25,23,1],[23,24,1],[40,41,1],[41,42,2],[41,43,1],[3,1,1],[1,0,2],[1,2,1]]
[H][C@]12CCNC[C@@]1([H])C1=CC(NC3=C(OC)N=CC(C)=C3)=CC3=C1N2CCOC3
[H][C@]12CCNC[C@@]1([H])C1=CC(NC3=C(OC)N=CC(C)=C3)=CC3=C1N2CCOC3
[[2.6127,-0.6163],[2.2002,0.0981],[3.0206,0.1844],[3.3562,0.9381],[2.8713,1.6055],[2.0508,1.5193],[1.7152,0.7656],[1.3027,1.4801],[0.9306,0.5106],[0.2162,0.9231],[-0.4983,0.5106],[-1.2128,0.9231],[-1.9273,0.5106],[-2.6417,0.9231],[-2.6417,1.7481],[-3.3562,2.1606],[-3.3562,0.5106],[-3.3562,-0.3144],[-2.6417,-0.7269],[-2.6417,-1.5519],[-1.9273,-0.3144],[-0.4983,-0.3144],[0.2162,-0.7269],[0.9306,-0.3144],[1.7152,-0.5693],[2.0051,-1.3417],[1.582,-2.0499],[0.7645,-2.1606],[0.1681,-1.5905]]
[[10,21,2],[21,22,1],[22,23,2],[23,8,1],[8,9,2],[9,10,1],[23,24,1],[24,1,1],[1,6,1],[6,8,1],[10,11,1],[1,2,1],[2,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,5],[1,0,5],[11,12,1],[20,12,1],[12,13,2],[13,16,1],[16,17,2],[17,18,1],[18,20,2],[22,28,1],[28,27,1],[27,26,1],[26,25,1],[25,24,1],[13,14,1],[14,15,1],[18,19,1]]
CF.[1*]C.[2*]COC1=NN2C(=NN=C2C2=CC=CC=C2)C=C1
CF.[1*]C.[2*]COC1=NN2C(=NN=C2C2=CC=CC=C2)C=C1
[[1.5846,0.4625],[1.9976,1.1767],[1.9964,-0.9672],[1.5844,-0.2525],[0.5218,-1.6841],[-0.5534,-1.6841],[-1.3784,-1.6841],[-1.3784,-0.8591],[-0.6639,-0.4466],[-0.6639,0.3784],[-1.3784,0.7909],[-1.2069,1.5979],[-0.3864,1.6841],[-0.0508,0.9304],[0.6636,0.5179],[0.6636,-0.3071],[1.3781,-0.7196],[2.0929,-0.3076],[2.0923,0.5174],[1.3781,0.9304],[-2.0929,0.3784],[-2.0929,-0.4466]]
[[20,21,2],[21,7,1],[7,8,2],[8,9,1],[9,10,1],[10,20,1],[9,13,1],[13,12,2],[12,11,1],[11,10,2],[14,15,2],[15,16,1],[16,17,2],[17,18,1],[18,19,2],[19,14,1],[14,13,1],[7,6,1],[6,5,1],[5,4,1],[0,1,1],[3,2,1]]
*C1=C(C2=C(OC(=*)N([6*])[7*])C(*)=C([2H])OC2=O)C([W])=C(C)C([Y])=C1.*C1=C(C2=C(OC)C(*)=C([2H])OC2=O)C([W])=C(C)C([Y])=C1
*C1=C(C2=C(OC(=*)N([6*])[7*])C([0])=C([2H])OC2=O)C([W])=C([Z])C([Y])=C1.*C1=C(C2=C(O[E])C(*)=C([2H])OC2=O)C([W])=C([Z])C([Y])=C1
[[1.6466,-3.4204],[1.6466,-4.2454],[0.9321,-4.6579],[0.2963,-3.539],[-0.5287,-3.539],[-0.9412,-4.2534],[-1.7662,-4.2534],[-2.1787,-3.539],[-2.1787,-4.9679],[-1.7662,-5.6824],[-3.0037,-4.9679],[-0.9412,-2.8245],[-1.7662,-2.8245],[-0.5287,-2.11],[-0.9412,-1.3955],[0.2963,-2.11],[0.7088,-2.8245],[1.5338,-2.8245],[0.9321,-5.4829],[0.2176,-5.8954],[1.6466,-5.8954],[1.6466,-6.7204],[2.361,-5.4829],[3.0755,-5.8954],[2.361,-4.6579],[0.3373,4.6955],[0.3373,3.8705],[-0.3772,3.458],[-1.013,4.577],[-1.838,4.577],[-2.2505,3.8625],[-3.0755,3.8625],[-2.2505,5.2915],[-3.0755,5.2915],[-1.838,6.0059],[-2.2505,6.7204],[-1.013,6.0059],[-0.6005,5.2915],[0.2245,5.2915],[-0.3772,2.633],[-1.0917,2.2205],[0.3373,2.2205],[0.3373,1.3955],[1.0518,2.633],[1.7662,2.2205],[1.0518,3.458]]
[[27,39,1],[39,41,2],[41,43,1],[43,45,2],[45,26,1],[26,27,2],[26,25,1],[43,44,1],[41,42,1],[39,40,1],[28,37,1],[37,36,1],[36,34,1],[29,28,2],[29,30,1],[27,28,1],[37,38,2],[34,35,1],[30,31,1],[29,32,1],[32,34,2],[32,33,1],[2,18,1],[18,20,2],[20,22,1],[22,24,2],[24,1,1],[1,2,2],[1,0,1],[22,23,1],[20,21,1],[18,19,1],[3,16,1],[16,15,1],[15,13,1],[4,3,2],[4,5,1],[2,3,1],[16,17,2],[13,14,1],[5,6,1],[6,7,2],[6,8,1],[8,10,1],[8,9,1],[4,11,1],[11,13,2],[11,12,1]]
CSCC1CC(=O)C(=O)N1
CSCC1CC(=O)C(=O)N1
[[1.712,-1.9302],[0.887,-1.9302],[0.4745,-1.2157],[-1.3634,1.1052],[-1.712,-0.5666],[0.78,0.6927],[1.4945,1.1052],[0.0656,1.1052],[0.0656,1.9302],[-0.6489,0.6927]]
[[4,5,1],[4,3,1],[5,6,2],[5,7,1],[7,8,2],[7,9,1],[9,3,1],[3,2,1],[2,1,1],[1,0,1]]
C.[2*]C(=O)NC(C[3*])C(O)C1=CC(CC)=CC=C1.[2*]C(=O)NC(C[3*])C(O)C1=CC=C(CC)C=C1
[or].[2*]C(=O)NC(C[3*])C(O)C1=CC([(CH2)n]C)=CC=C1.[2*]C(=O)NC(C[3*])C(O)C1=CC=C([(CH2)n]C)C=C1
[[3.6656,3.1685],[-2.2367,0.5021],[-2.6492,1.2166],[-3.4742,1.2166],[-2.2367,1.931],[-2.2367,2.756],[-2.9512,3.1685],[-3.6656,2.756],[-1.5222,3.1685],[-1.5222,3.9935],[-0.8078,2.756],[-0.0933,3.1685],[0.6212,2.756],[1.3357,3.1685],[2.8082,3.581],[0.6212,1.931],[-0.0933,1.5185],[-0.8078,1.931],[-1.9608,-3.9935],[-2.3733,-3.2791],[-3.1983,-3.2791],[-1.9608,-2.5646],[-1.9608,-1.7396],[-2.6753,-1.3271],[-3.3897,-1.7396],[-1.2463,-1.3271],[-1.2463,-0.5021],[-0.5319,-1.7396],[0.1826,-1.3271],[0.8971,-1.7396],[0.8971,-2.5646],[1.6116,-2.9771],[3.0841,-2.5646],[0.1826,-2.9771],[-0.5319,-2.5646]]
[[23,24,1],[22,23,1],[25,22,1],[27,25,1],[25,26,1],[22,21,1],[21,19,1],[19,18,1],[19,20,2],[27,34,1],[34,33,2],[33,30,1],[30,29,2],[29,28,1],[28,27,2],[30,31,1],[31,32,1],[6,7,1],[5,6,1],[8,5,1],[10,8,1],[8,9,1],[5,4,1],[4,2,1],[2,1,1],[2,3,2],[10,17,1],[17,16,2],[16,15,1],[15,12,2],[12,11,1],[11,10,2],[12,13,1],[13,14,1]]
NC1=CC=C2C(=C1)NC(=O)C1=CC(N)=CC=C12
NC1=CC=C2C(=C1)NC(=O)C1=CC(N)=CC=C12
[[2.5006,-1.8563],[1.7862,-1.4437],[1.0717,-1.8563],[0.3572,-1.4437],[0.3572,-0.6187],[1.0717,-0.2062],[1.7862,-0.6187],[1.0717,0.6187],[0.3572,1.0313],[0.3572,1.8563],[-0.3572,0.6187],[-1.0717,1.0313],[-1.7862,0.6187],[-2.5006,1.0313],[-1.7862,-0.2062],[-1.0717,-0.6187],[-0.3572,-0.2062]]
[[3,4,2],[3,2,1],[2,1,2],[1,6,1],[6,5,2],[5,4,1],[5,7,1],[7,8,1],[8,10,1],[10,11,2],[8,9,2],[10,16,1],[16,4,1],[11,12,1],[12,14,2],[14,15,1],[15,16,2],[1,0,1],[12,13,1]]
CCN(CC)C1=CC2=OC3=C(C=CC(N(CC)CC)=C3)N=C2C=C1
CCN(CC)C1=CC2=OC3=C(C=CC(N(CC)CC)=C3)N=C2C=C1
[[3.3937,0.7219],[2.6793,1.1344],[2.322,0.5156],[2.322,0.5156],[1.6076,0.1031],[1.6076,0.1031],[0.8931,0.5156],[0.1786,0.1031],[-0.5359,0.5156],[-1.2503,0.1031],[-1.2503,-0.7219],[-1.9648,-1.1344],[-2.6793,-0.7219],[-2.6793,0.1031],[-3.3937,0.5156],[-3.0365,1.1344],[-2.322,0.7219],[-3.3937,0.5156],[-2.6793,0.1031],[-1.9648,0.5156],[-0.5359,-1.1344],[0.1786,-0.7219],[0.8931,-1.1344],[1.6076,-0.7219]]
[[10,9,2],[9,19,1],[19,13,2],[13,12,1],[12,11,2],[11,10,1],[10,20,1],[20,21,2],[21,7,1],[7,8,2],[8,9,1],[21,22,1],[22,23,2],[23,5,1],[5,6,2],[6,7,1],[13,14,1],[5,2,1],[2,1,1],[0,1,1],[14,15,1],[16,15,1],[2,3,1],[4,3,1],[14,17,1],[18,17,1]]
*C1=NSC(C)=C1C(=O)N*B
[0]C1=NSC([DE])=C1C(=O)N*B
[[0.1592,1.1811],[-0.5553,0.7686],[-1.2227,1.2535],[-1.8901,0.7686],[-1.6352,-0.016],[-2.0477,-0.7305],[-0.8102,-0.016],[-0.0957,-0.4285],[-0.0957,-1.2535],[0.6187,-0.016],[1.3332,-0.4285],[2.0477,-0.016]]
[[4,6,2],[6,1,1],[1,2,2],[2,3,1],[3,4,1],[4,5,1],[6,7,1],[7,9,1],[9,10,1],[10,11,1],[7,8,2],[1,0,1]]
C.CC.I[IH]I.[1*]C#N.[1*]C(C)=O.[V]I
[(IB-a)].[W1][Q].I[IH]I.[1*]C#N.[1*]C([Q])=O.[V]I
[[2.856,-0.6872],[-0.7485,-0.0535],[0.0765,-0.0535],[-2.5859,-0.7425],[-3.3004,-0.33],[-4.0149,-0.7425],[-4.0632,-0.0825],[-3.2382,-0.0825],[-2.4132,-0.0825],[2.4132,-0.0825],[3.2382,-0.0825],[4.0632,-0.0825],[3.2382,0.7425],[0.1073,-0.6872],[-0.7177,-0.6872]]
[[1,2,1],[14,13,1],[6,7,1],[7,8,3],[3,4,1],[4,5,1],[9,10,1],[10,11,1],[10,12,2]]
C[C@H](O)C1=C(F)C=CC=C1
C[C@H](O)C1=C(F)C=CC=C1
[[1.4289,0.0],[0.7145,0.4125],[0.7145,1.2375],[0.0,0.0],[-0.7145,0.4125],[-0.7145,1.2375],[-1.4289,0.0],[-1.4289,-0.825],[-0.7145,-1.2375],[0.0,-0.825]]
[[6,7,2],[7,8,1],[8,9,2],[9,3,1],[3,4,2],[4,6,1],[4,5,1],[3,1,1],[1,0,1],[1,2,5]]
CCOC(=O)C1=CC2=CC3=C4C(=C2N(CC)C1=O)CCCN4C(C)(C)CC3C
CCOC(=O)C1=CC2=CC3=C4C(=C2N(CC)C1=O)CCCN4C(C)(C)CC3C
[[3.4011,0.4678],[2.9886,-0.2467],[2.1636,-0.2467],[1.7511,0.4678],[0.9261,0.4678],[1.6002,0.6187],[0.8857,1.0313],[0.1712,0.6187],[-0.5433,1.0313],[-1.2577,0.6187],[-1.2577,-0.2062],[-0.5433,-0.6187],[0.1712,-0.2062],[0.8857,-0.6187],[1.2429,-0.825],[1.9574,-1.2375],[1.6002,-0.2062],[2.3146,-0.6187],[-0.5433,-1.4437],[-1.2577,-1.8563],[-1.9722,-1.4437],[-1.9722,-0.6187],[-2.6867,-0.2062],[-3.4011,-0.6187],[-3.4011,0.2062],[-2.6867,0.6187],[-1.9722,1.0313],[-1.9722,1.8563]]
[[25,22,1],[22,21,1],[21,10,1],[10,9,2],[9,26,1],[26,25,1],[10,11,1],[11,12,2],[12,7,1],[7,8,2],[8,9,1],[12,13,1],[13,16,1],[16,5,1],[5,6,2],[6,7,1],[21,20,1],[20,19,1],[19,18,1],[18,11,1],[16,17,2],[26,27,1],[22,23,1],[22,24,1],[5,3,1],[3,4,2],[3,2,1],[2,1,1],[0,1,1],[13,14,1],[15,14,1]]
*CC(=O)NC1CN2C(=O)N(C3=CC(Cl)=CC(Cl)=C3)C(=O)C2(CC2=CC=C([N+]#[C-])C=C2)C1
*CC(=O)NC1CN2C(=O)N(C3=CC(Cl)=CC(Cl)=C3)C(=O)C2(CC2=CC=C([N+]#[C-])C=C2)C1
[[-3.7445,-0.7293],[-3.332,-1.4437],[-2.507,-1.4437],[-2.0945,-2.1582],[-2.0945,-0.7293],[-1.2695,-0.7293],[-0.7846,-1.3967],[0.0,-1.1418],[0.7846,-1.3967],[1.1971,-2.1112],[1.2695,-0.7293],[2.0945,-0.7293],[2.507,-1.4437],[3.332,-1.4437],[3.7445,-2.1582],[3.7445,-0.7293],[3.332,-0.0148],[3.7445,0.6997],[2.507,-0.0148],[0.7846,-0.0618],[1.1971,0.6526],[0.0,-0.3168],[0.0,0.5082],[-0.7145,0.9207],[-0.7145,1.7457],[-1.4289,2.1582],[-2.1434,1.7457],[-2.8579,2.1582],[-2.0329,2.1582],[-2.1434,0.9207],[-1.4289,0.5082],[-0.7846,-0.0618]]
[[26,29,1],[29,30,2],[30,23,1],[23,24,2],[24,25,1],[25,26,2],[23,22,1],[22,21,1],[21,7,1],[7,8,1],[8,10,1],[10,19,1],[19,21,1],[21,31,1],[31,5,1],[5,6,1],[6,7,1],[5,4,1],[10,11,1],[11,12,2],[12,13,1],[13,15,2],[15,16,1],[16,18,2],[18,11,1],[13,14,1],[16,17,1],[19,20,2],[8,9,2],[4,2,1],[2,3,2],[2,1,1],[1,0,1],[26,27,1],[27,28,3]]
C.C.C.C.[50*]N1C(=O)C2(CC(C)(C)N([H])(O)C(C)(C)C2)OC1([51*])[52*].[53*]C1([54*])COC([55*])([56*])N1([H])O.[53*]C1([54*])COC([55*])([56*])N1C.[57*]C1([58*])C(=O)NC([59*])([60*])N1([H])O.[57*]C1([58*])C(=O)NC([59*])([60*])N1C.[61*]C1([62*])C([65*])=N(C)C([63*])([64*])N1([H])O.[61*]C1([62*])C([65*])=N(C)C([63*])([64*])N1C
[[X]j-].[[X]j-].[[X]j-].[[X]j-].[50*]N1C(=O)C2(CC(C)([CH2R])N([H])(O)C(C)([CH2R])C2)OC1([51*])[52*].[53*]C1([54*])COC([55*])([56*])N1([H])O.[53*]C1([54*])COC([55*])([56*])N1[E].[57*]C1([58*])C(=O)NC([59*])([60*])N1([H])O.[57*]C1([58*])C(=O)NC([59*])([60*])N1[E].[61*]C1([62*])C([65*])=N([M])C([63*])([64*])N1([H])O.[61*]C1([62*])C([65*])=N([M])C([63*])([64*])N1[E]
[[0.7649,-4.429],[0.7649,-14.806],[0.6828,5.471],[4.1663,14.6086],[2.3874,13.8942],[0.2475,13.8942],[-0.5775,13.8942],[-0.5775,13.0692],[-0.99,14.6086],[-1.4025,13.8942],[-2.2275,13.8942],[-2.64,13.1797],[-1.815,13.1797],[-2.64,14.6086],[-3.465,14.6086],[-3.0525,13.8942],[-2.2275,15.3231],[-2.64,16.0376],[-1.815,16.0376],[-1.4025,15.3231],[-0.5775,15.3231],[0.2475,15.3231],[0.2475,16.1481],[1.0725,15.3231],[-3.7245,5.181],[-3.0101,5.5935],[-3.7245,6.006],[-2.7551,6.3781],[-1.9301,6.3781],[-1.6752,5.5935],[-0.9607,5.181],[-0.9607,6.006],[-2.3426,5.1085],[-2.3426,4.2835],[-1.6281,4.696],[-4.1663,9.4155],[-3.4518,9.828],[-4.1663,10.2405],[-3.1969,10.6126],[-2.3719,10.6126],[-2.1169,9.828],[-1.4025,9.4155],[-1.4025,10.2405],[-2.7844,9.3431],[-2.7844,8.5181],[-3.6232,-4.8737],[-2.9087,-4.4612],[-3.6232,-4.0487],[-2.6538,-3.6766],[-3.0663,-2.9621],[-1.8288,-3.6766],[-1.5738,-4.4612],[-0.8593,-4.8737],[-0.8593,-4.0487],[-2.2413,-4.9462],[-2.2413,-5.7712],[-1.5268,-5.3587],[-4.1607,0.1536],[-3.4462,0.5661],[-4.1607,0.9786],[-3.1912,1.3507],[-3.6037,2.0652],[-2.3662,1.3507],[-2.1113,0.5661],[-1.3968,0.1536],[-1.3968,0.9786],[-2.7787,0.0812],[-2.7787,-0.7438],[-3.6232,-15.2507],[-2.9087,-14.8382],[-3.6232,-14.4257],[-2.6538,-14.0536],[-3.0663,-13.3391],[-1.8288,-14.0536],[-1.4163,-13.3391],[-1.5738,-14.8382],[-0.8593,-15.2507],[-0.8593,-14.4257],[-2.2413,-15.3231],[-2.2413,-16.1481],[-1.5268,-15.7356],[-4.1607,-10.1331],[-3.4462,-9.7206],[-4.1607,-9.3081],[-3.1912,-8.936],[-3.6037,-8.2215],[-2.3662,-8.936],[-1.9537,-8.2215],[-2.1113,-9.7206],[-1.3968,-10.1331],[-1.3968,-9.3081],[-2.7787,-10.2055],[-2.7787,-11.0305]]
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O=C(O)C=CC(=O)NCCCNC(=O)C=CC(=O)O.O=C1C=CC(=O)N1CCCN1C(=O)C=CC1=O
O=C(O)C=CC(=O)N[(CH2CH2O)n-1]CCNC(=O)C=CC(=O)O.O=C1C=CC(=O)N1[(CH2CH2O)n-1]CCN1C(=O)C=CC1=O
[[-5.7928,2.9012],[-6.2053,2.1867],[-5.7928,1.4723],[-5.7928,2.1867],[-4.7163,2.1867],[-3.6398,2.1867],[-3.6398,3.0117],[-2.8148,2.1867],[-1.7232,2.1867],[0.7557,2.1867],[1.1682,1.4723],[2.9743,2.1867],[4.0658,2.1867],[4.0658,3.0117],[4.8908,2.1867],[5.9673,2.1867],[7.0438,2.1867],[7.4563,2.9012],[7.4563,1.4723],[-6.2188,-0.1539],[-6.6313,-0.8683],[-7.4563,-0.8683],[-7.4563,-2.2973],[-6.6313,-2.2973],[-6.2188,-3.0117],[-6.2188,-1.5828],[-5.3938,-1.5828],[-2.9149,-1.5828],[-2.5024,-2.2973],[-0.6963,-1.5828],[-0.2114,-0.9154],[-0.6239,-0.2009],[0.5732,-1.1703],[0.5732,-1.9953],[-0.2114,-2.2502],[-0.6239,-2.9647]]
[[3,4,2],[4,5,1],[5,7,1],[7,8,1],[5,6,2],[11,12,1],[12,14,1],[14,15,2],[12,13,2],[3,1,1],[1,0,2],[1,2,1],[15,16,1],[16,17,2],[16,18,1],[8,9,1],[11,10,1],[9,10,1],[22,23,1],[23,25,1],[25,20,1],[20,21,1],[21,22,2],[20,19,2],[23,24,2],[25,26,1],[29,34,1],[34,33,1],[33,32,2],[32,30,1],[30,29,1],[30,31,2],[34,35,2],[26,27,1],[29,28,1],[27,28,1]]
CCN(C)S(=O)(=O)OC1=CC=C2C(=O)C(C3=CC=CC=C3)=COC2=C1
CCN(C)S(=O)(=O)OC1=CC=C2C(=O)C(C3=CC=CC=C3)=COC2=C1
[[-4.3016,-0.3168],[-3.4766,-0.3168],[-3.0641,-1.0313],[-3.4766,-1.7457],[-2.2391,-1.0313],[-2.2391,-0.2062],[-2.2391,-1.8563],[-1.4141,-1.0313],[-0.6997,-0.6187],[-0.6997,0.2062],[0.0148,0.6187],[0.7293,0.2062],[1.4437,0.6187],[1.4437,1.4437],[2.1582,0.2062],[2.8727,0.6188],[3.5872,0.2063],[4.3016,0.6188],[4.3016,1.4437],[3.5872,1.8563],[2.8727,1.4437],[2.1582,-0.6187],[1.4437,-1.0313],[0.7293,-0.6187],[0.0148,-1.0313]]
[[2,4,1],[4,7,1],[4,5,2],[4,6,2],[2,3,1],[2,1,1],[7,8,1],[8,24,1],[24,23,2],[23,11,1],[11,10,2],[10,9,1],[9,8,2],[23,22,1],[22,21,1],[21,14,2],[14,12,1],[12,11,1],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,19,1],[19,20,2],[20,15,1],[1,0,1],[12,13,2]]
[2*]N1C(=O)C2=C3C4=C(C(=O)N([1*]N5C(=O)C6=C([10*])C([11*])=C7C(=O)N([3*])C(=O)C8=C7C6=C(C5=O)C([6*])=C8[7*])C(=O)/C4=C([9*])/C([8*])=C\3C1=O)C([5*])=C2[4*]
[2*]N1C(=O)C2=C3C4=C(C(=O)N([1*]N5C(=O)C6=C([10*])C([11*])=C7C(=O)N([3*])C(=O)C8=C7C6=C(C5=O)C([6*])=C8[7*])C(=O)/C4=C([9*])/C([8*])=C\3C1=O)C([5*])=C2[4*]
[[-5.0871,-0.0],[-4.37,-0.0],[-4.0115,0.6211],[-4.37,1.2421],[-3.2943,0.6211],[-2.9358,-0.0],[-2.2186,-0.0],[-1.8601,0.6211],[-1.1429,0.6211],[-0.7844,1.2421],[-0.7844,-0.0],[-0.0672,-0.0],[0.7844,-0.0],[1.1429,-0.6211],[0.7844,-1.2421],[1.8601,-0.6211],[2.2186,-1.2421],[1.8601,-1.8632],[2.9358,-1.2421],[3.2943,-1.8632],[3.2943,-0.6211],[4.0115,-0.6211],[4.37,-1.2421],[4.37,-0.0],[5.0871,-0.0],[4.0115,0.6211],[4.37,1.2421],[3.2943,0.6211],[2.9358,-0.0],[2.2186,-0.0],[1.8601,0.6211],[1.1429,0.6211],[0.7844,1.2421],[2.2186,1.2421],[1.8601,1.8632],[2.9358,1.2421],[3.2943,1.8632],[-1.1429,-0.6211],[-0.7844,-1.2421],[-1.8601,-0.6211],[-2.2186,-1.2421],[-1.8601,-1.8632],[-2.9358,-1.2421],[-3.2943,-1.8632],[-3.2943,-0.6211],[-4.0115,-0.6211],[-4.37,-1.2421],[-2.2186,1.2421],[-1.8601,1.8632],[-2.9358,1.2421],[-3.2943,1.8632]]
[[6,7,2],[7,47,1],[47,49,2],[49,4,1],[4,5,2],[5,6,1],[5,44,1],[44,42,2],[42,40,1],[40,39,2],[39,6,1],[39,37,1],[37,10,1],[10,8,1],[8,7,1],[4,2,1],[2,1,1],[1,45,1],[45,44,1],[2,3,2],[8,9,2],[37,38,2],[45,46,2],[49,50,1],[47,48,1],[40,41,1],[42,43,1],[28,27,2],[27,35,1],[35,33,2],[33,30,1],[30,29,2],[29,28,1],[29,15,1],[15,16,2],[16,18,1],[18,20,2],[20,28,1],[20,21,1],[21,23,1],[23,25,1],[25,27,1],[30,31,1],[31,12,1],[12,13,1],[13,15,1],[31,32,2],[25,26,2],[21,22,2],[13,14,2],[33,34,1],[35,36,1],[18,19,1],[16,17,1],[10,11,1],[11,12,1],[1,0,1],[23,24,1]]
CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CC3=C(C=CC=C3)C1)C2(C)C)C(=O)C(=O)NC
CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CC3=C(C=CC=C3)C1)C2(C)C)C(=O)C(=O)NC
[[3.9007,-1.1351],[3.1863,-0.7226],[3.1863,0.1024],[2.4718,0.5149],[2.4754,1.3399],[1.7627,1.7555],[1.0464,1.3461],[1.0429,0.5211],[0.3337,1.7617],[0.0788,2.5463],[-0.7462,2.5463],[-1.0011,1.7617],[-0.3337,1.2767],[-0.3337,0.4517],[0.3808,0.0392],[-1.0482,0.0392],[-1.0482,-0.7858],[-1.7626,-1.1983],[-2.4771,-0.7858],[-1.7626,-2.0233],[-2.4771,-2.4358],[-3.1916,-2.0233],[-3.9061,-2.4358],[-4.1196,-3.2326],[-4.6205,-2.0233],[-5.335,-2.4358],[-4.208,-1.3088],[-5.033,-1.3088],[-2.4771,-3.2608],[-1.7626,-3.6733],[-3.1916,-3.6733],[-2.0646,-3.9752],[-1.7626,0.4517],[-1.8489,1.2722],[-2.6558,1.4438],[-3.0683,0.7293],[-3.8933,0.7293],[-4.3058,1.4438],[-3.8933,2.1582],[-3.0683,2.1582],[-2.5163,0.1162],[-0.3337,3.2608],[-0.7462,3.9752],[0.0788,3.9752],[3.1916,1.7493],[3.1952,2.5743],[3.9043,1.3338],[3.9007,0.5088],[4.6205,1.7432],[5.335,1.3307]]
[[9,10,1],[10,11,1],[11,12,1],[12,8,1],[8,9,1],[9,41,6],[10,41,6],[41,42,1],[41,43,1],[8,6,5],[6,5,1],[6,7,2],[5,4,1],[4,44,1],[44,46,1],[44,45,2],[46,48,1],[46,47,2],[4,3,1],[12,13,1],[13,14,2],[13,15,1],[15,32,5],[15,16,1],[16,17,1],[17,19,1],[17,18,2],[19,20,1],[20,21,1],[21,22,1],[22,24,1],[24,25,1],[22,23,1],[24,26,2],[24,27,2],[20,28,5],[28,29,1],[28,30,1],[28,31,1],[3,2,1],[2,1,1],[1,0,1],[48,49,1],[39,38,2],[38,37,1],[37,36,2],[36,35,1],[35,34,2],[34,39,1],[35,40,1],[40,32,1],[32,33,1],[33,34,1]]
CC(C)CBr.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1CC(C)C
CC(C)CBr.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1CC(C)C
[[2.8577,2.5522],[2.1432,2.1397],[2.1432,1.3147],[1.4287,2.5522],[0.7142,2.1397],[-1.5276,7.3572],[-2.2421,6.9447],[-2.2421,6.1197],[-3.0267,5.5496],[-3.0267,4.7246],[-3.5116,4.0572],[-3.0267,3.3898],[-3.4392,2.6753],[-4.2642,2.6753],[-4.6767,3.3898],[-4.6767,1.9608],[-4.2642,1.2463],[-4.6767,0.5319],[-3.4392,1.2463],[-3.0267,1.9608],[-2.2421,3.6447],[-2.2421,4.4697],[-1.5276,4.8822],[-0.8131,4.4697],[-0.8131,3.6447],[-0.0986,3.2322],[-1.5276,3.2322],[-1.5276,5.7072],[2.5333,-0.5319],[1.8188,-0.9444],[1.8188,-1.7694],[1.0342,-2.3394],[1.0342,-3.1644],[0.5492,-3.8319],[1.0342,-4.4993],[0.6217,-5.2138],[-0.2033,-5.2138],[-0.6158,-4.4993],[-0.6158,-5.9283],[-0.2033,-6.6427],[-0.6158,-7.3572],[0.6217,-6.6427],[1.0342,-5.9283],[1.8188,-4.2444],[1.8188,-3.4194],[2.5333,-3.0069],[3.2477,-3.4194],[3.2477,-4.2444],[3.9622,-4.6569],[2.5333,-4.6569],[2.5333,-2.1819],[3.2477,-1.7694],[3.9622,-2.1819],[4.6767,-1.7694],[3.9622,-3.0069]]
[[44,43,2],[43,49,1],[49,47,2],[47,46,1],[46,45,2],[45,44,1],[44,32,1],[32,33,1],[33,34,2],[34,43,1],[47,48,1],[34,35,1],[35,36,2],[36,38,1],[38,39,2],[39,41,1],[41,42,2],[42,35,1],[36,37,1],[39,40,1],[45,50,1],[50,30,1],[30,29,1],[29,28,1],[50,51,1],[51,52,1],[52,53,1],[52,54,1],[32,31,1],[31,30,1],[21,20,2],[20,26,1],[26,24,2],[24,23,1],[23,22,2],[22,21,1],[21,9,1],[9,10,1],[10,11,2],[11,20,1],[24,25,1],[11,12,1],[12,13,2],[13,15,1],[15,16,2],[16,18,1],[18,19,2],[19,12,1],[13,14,1],[16,17,1],[22,27,1],[27,7,1],[7,6,1],[6,5,1],[9,8,1],[8,7,1],[4,3,1],[3,1,1],[1,0,1],[1,2,1]]
COC1=C(NC2=NC(CSCCS(=O)(=O)O[Na])=NC(SCCCS(=O)(=O)O[Na])=N2)C=CC(/N=N/C2=CC3=C(C=C2)C=C(SOOO[Na])C=C3S(=O)(=O)O[Na])=C1
COC1=C(NC2=NC(CSCCS(=O)(=O)O[Na])=NC(SCCCS(=O)(=O)O[Na])=N2)C=CC(/N=N/C2=CC3=C(C=C2)C=C(SOOO[Na])C=C3S(=O)(=O)O[Na])=C1
[[1.8037,1.2274],[1.0892,1.6399],[0.732,1.0211],[1.4465,0.6086],[2.1609,1.0211],[2.8754,0.6086],[2.8754,-0.2164],[3.5899,-0.6289],[3.5899,-1.4539],[4.3043,-1.8664],[5.0188,-1.4539],[5.7333,-1.8664],[6.4127,-1.3231],[7.1272,-1.7356],[6.8252,-0.6086],[5.6982,-0.9106],[4.9838,-1.3231],[4.3043,-0.2164],[4.3043,0.6086],[5.0188,1.0211],[5.7333,0.6086],[6.4478,1.0211],[7.1622,0.6086],[7.8417,1.1519],[8.5561,0.7394],[8.2542,1.8664],[7.1272,1.5644],[6.4127,1.1519],[3.5899,1.0211],[1.4465,-0.2164],[0.732,-0.6289],[0.0175,-0.2164],[-0.697,-0.6289],[-1.4114,-0.2164],[-2.1259,-0.6289],[-2.8404,-0.2164],[-3.5548,-0.6289],[-3.5548,-1.4539],[-2.8404,-1.8664],[-2.1259,-1.4539],[-4.2693,-1.8664],[-4.9838,-1.4539],[-5.6982,-1.8664],[-6.4127,-1.4539],[-7.1272,-1.8664],[-7.8417,-1.4539],[-8.5561,-1.8664],[-4.9838,-0.6289],[-4.2693,-0.2164],[-4.2969,0.7118],[-3.5825,1.1243],[-4.7094,1.4262],[-5.0114,0.2993],[-5.7259,0.7118],[0.0175,0.6086]]
[[36,37,2],[37,38,1],[38,39,2],[39,34,1],[34,35,2],[35,36,1],[36,48,1],[48,47,2],[47,41,1],[41,40,2],[40,37,1],[34,33,1],[33,32,2],[32,31,1],[31,30,1],[30,29,2],[29,3,1],[3,2,2],[2,54,1],[54,31,2],[3,4,1],[4,5,1],[5,6,2],[6,7,1],[7,17,2],[17,18,1],[18,28,2],[28,5,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[18,19,1],[19,20,1],[20,21,1],[21,22,1],[41,42,1],[46,45,1],[45,44,1],[44,43,1],[43,42,1],[2,1,1],[1,0,1],[48,49,1],[49,50,2],[49,51,2],[49,52,1],[52,53,1],[11,12,1],[12,13,2],[12,14,2],[12,15,1],[15,16,1],[22,23,1],[23,24,2],[23,25,2],[23,26,1],[26,27,1]]
CC1=CC2=C(C=C1C)NC(/C1=C3\CCN(C(=O)CC(C)C)C\C3=N\N1)=N2
CC1=CC2=C(C=C1C)NC(/C1=C3\CCN(C(=O)CC(C)C)C\C3=N\N1)=N2
[[-4.0841,-1.2916],[-3.5008,-0.7083],[-2.6938,-0.8798],[-2.1417,-0.2667],[-2.3967,0.5179],[-3.2037,0.6895],[-3.7557,0.0764],[-4.5526,0.2899],[-1.7292,1.0029],[-1.0618,0.5179],[-0.3473,0.9304],[0.2658,0.3784],[0.2658,-0.4466],[0.9802,-0.8591],[1.6947,-0.4466],[2.4092,-0.8591],[2.4092,-1.6841],[3.1236,-0.4466],[3.8381,-0.8591],[4.5526,-0.4466],[3.8381,-1.6841],[1.6947,0.3784],[0.9802,0.7909],[0.8087,1.5979],[-0.0118,1.6841],[-1.3167,-0.2667]]
[[11,12,1],[12,13,1],[13,14,1],[14,21,1],[21,22,1],[22,11,1],[14,15,1],[15,17,1],[17,18,1],[18,19,1],[18,20,1],[15,16,2],[22,23,2],[23,24,1],[24,10,1],[10,11,2],[10,9,1],[3,25,1],[25,9,2],[9,8,1],[8,4,1],[4,3,2],[4,5,1],[5,6,2],[6,1,1],[1,2,2],[2,3,1],[6,7,1],[1,0,1]]
CC(C)C.[H]c1c([H])c([K])c([2H])c1C
C[M]([(L1)n])[(L2)m].[H]c1c([H])c([K])c([2H])c1[E]
[[-0.0003,0.1607],[-0.0009,-1.1283],[-0.0009,-1.9533],[-1.1794,-1.8019],[0.825,-0.8557],[0.4125,-0.1412],[0.6674,0.6434],[1.3819,1.0559],[-0.0,1.1283],[-0.0,1.9533],[-0.6674,0.6434],[-1.3819,1.0559],[-0.4125,-0.1406],[-0.825,-0.8557]]
[[12,5,4],[5,6,4],[6,8,4],[8,10,4],[10,12,4],[6,7,1],[10,11,1],[5,4,1],[12,13,1],[8,9,1],[0,1,1],[1,2,1],[1,3,1]]
CCCC[C@]1(CC)CS(=O)(=O)C2=C(C=C(N(C)C)C=C2)[C@@H](C2=CC=CC(C[N+]3=CC=CC=C3)=C2)[C@H]1O.[Cl-]
CCCC[C@]1(CC)CS(=O)(=O)C2=C(C=C(N(C)C)C=C2)[C@@H](C2=CC=CC(C[N+]3=CC=CC=C3)=C2)[C@H]1O.[Cl-]
[[3.6415,3.1468],[2.8446,3.3603],[2.2612,2.777],[1.4362,2.777],[1.0237,2.0625],[1.6071,1.4791],[2.404,1.6927],[0.6658,2.8058],[-0.1386,2.9894],[-0.853,3.4019],[-0.1386,3.8144],[-0.7836,2.475],[-0.7836,1.65],[-1.498,1.2375],[-2.2125,1.65],[-2.927,1.2375],[-3.6415,1.65],[-2.927,0.4125],[-2.2125,2.475],[-1.498,2.8875],[-0.1386,1.1356],[-0.1386,0.3106],[-0.853,-0.1019],[-0.853,-0.9269],[-0.1386,-1.3394],[0.5759,-0.9269],[1.2904,-1.3394],[1.2904,-2.1644],[0.5759,-2.5769],[0.5759,-3.4019],[1.2904,-3.8144],[2.0048,-3.4019],[2.0048,-2.5769],[0.5759,-0.1019],[0.6658,1.3192],[1.0783,0.6047],[1.9939,-1.6711]]
[[18,14,1],[14,13,2],[13,12,1],[12,11,2],[11,19,1],[19,18,2],[12,20,1],[20,34,1],[34,4,1],[4,7,1],[7,8,1],[8,11,1],[8,9,2],[8,10,2],[34,35,6],[20,21,6],[15,14,1],[15,16,1],[15,17,1],[4,3,5],[2,3,1],[1,2,1],[0,1,1],[4,5,6],[21,22,2],[22,23,1],[23,24,2],[24,25,1],[25,33,2],[33,21,1],[6,5,1],[25,26,1],[26,27,1],[27,28,2],[28,29,1],[29,30,2],[30,31,1],[31,32,2],[32,27,1]]
C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(C/C=C/C(O)(C(F)(F)F)C(F)(F)F)CC1.C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(CC#CC(O)(C(F)(F)F)C(F)(F)F)CC1
C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(C/C=C/C(O)(C(F)(F)F)C(F)(F)F)CC1.C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(CC#CC(O)(C(F)(F)F)C(F)(F)F)CC1
[[0.6026,-1.9345],[0.6026,-2.7595],[-0.1119,-2.347],[-0.8264,-2.7595],[-0.8264,-3.5845],[-0.1119,-3.997],[-0.1119,-4.822],[0.6026,-3.5845],[1.3872,-3.8394],[1.8721,-3.172],[1.3872,-2.5045],[1.3872,-1.6795],[2.1017,-1.267],[2.8161,-1.6795],[3.5306,-1.267],[4.2451,-1.6795],[4.9595,-2.092],[4.958,-1.265],[4.5455,-0.5506],[5.6725,-0.8525],[5.3705,-1.9795],[4.2429,-2.5026],[3.4179,-2.5026],[4.2429,-1.6776],[5.0679,-2.5026],[1.3872,-0.8545],[0.6727,-1.267],[-4.2435,3.742],[-4.2435,2.917],[-4.958,3.3295],[-5.6725,2.917],[-5.6725,2.092],[-4.958,1.6795],[-4.958,0.8545],[-4.2435,2.092],[-3.4589,1.8371],[-2.974,2.5045],[-3.4589,3.172],[-3.4589,3.997],[-2.7445,4.4095],[-2.03,3.997],[-1.3155,3.5845],[-0.601,3.172],[0.1134,2.7595],[0.1119,3.5865],[-0.3006,4.301],[0.8264,3.999],[0.5244,2.872],[-0.6022,2.349],[0.2228,2.349],[-1.4272,2.349],[-0.6022,3.174],[-3.4589,4.822],[-4.1734,4.4095]]
[[3,4,1],[4,5,1],[5,7,1],[7,1,1],[1,2,1],[2,3,1],[7,8,1],[8,9,1],[9,10,1],[10,1,1],[1,0,5],[10,11,5],[12,11,1],[13,12,1],[11,25,1],[25,26,1],[26,11,1],[5,6,5],[14,15,1],[15,16,1],[13,14,2],[15,17,1],[17,18,1],[17,19,1],[17,20,1],[15,21,1],[21,22,1],[21,23,1],[21,24,1],[30,31,1],[31,32,1],[32,34,1],[34,28,1],[28,29,1],[29,30,1],[34,35,1],[35,36,1],[36,37,1],[37,28,1],[28,27,5],[37,38,5],[39,38,1],[40,39,1],[38,52,1],[52,53,1],[53,38,1],[32,33,5],[40,41,3],[41,42,1],[42,43,1],[42,44,1],[44,45,1],[44,46,1],[44,47,1],[42,48,1],[49,48,1],[50,48,1],[51,48,1]]
CC=C[Ar](C)C.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
C[CR52)d]=[(CR51][Ar](C)[(Ar12)c].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
[[2.5138,-0.4125],[1.0093,-0.4125],[-0.2373,-0.4125],[-0.842,0.4234],[-2.0785,-0.4125],[-1.0623,0.4125],[-0.7354,-0.4234],[-1.5823,-0.4234],[0.1115,-0.4234],[-0.7354,-1.2703],[-1.5823,-1.2703],[0.1115,-1.2703],[-2.4291,-0.4234],[-2.5138,0.4234],[-2.4291,-1.2703],[-2.5138,1.2703]]
[[2,1,2],[1,0,1],[4,3,1],[2,3,1],[5,3,1]]
*********.**1*2*13*14*5**51*234.C.COP(=O)(OC)OCCCC1=CC=C(O[Si]#**2*3*24*25*6**62*345)C=C1.[CH2+][CH2-]
*********.**1*2*13*14*5**51*234.[Nu].COP(=O)(OC)OCC[X5]C1=CC=C(O[Si]#**2*3*24*25*6**62*345)C=C1.[CH2+][CH2-]
[[-6.2328,-2.0069],[-5.5183,-1.5944],[-4.8039,-2.0069],[-4.0894,-1.5944],[-3.3749,-2.0069],[-2.6605,-1.5944],[-1.946,-2.0069],[-1.2315,-1.5944],[-0.5171,-2.0069],[-1.5583,-0.6869],[-2.2728,-0.2744],[-2.6853,0.4401],[-3.0978,-0.2744],[-3.9228,-0.2744],[-4.7478,-0.2744],[-5.1603,0.4401],[-4.3353,0.4401],[-3.5103,0.4401],[-2.8006,-2.8497],[5.4078,0.3569],[5.4078,-0.4681],[5.4078,-1.2931],[6.2328,-1.2931],[5.4078,-2.1181],[5.4078,-2.9431],[4.5828,-1.2931],[3.5063,-1.2931],[2.4298,-1.2931],[1.6048,-1.2931],[0.7798,-1.2931],[0.3673,-0.5787],[-0.4577,-0.5787],[-0.8702,-1.2931],[-1.6952,-1.2931],[-5.1603,1.7056],[-4.3353,1.7056],[-3.5103,1.7056],[-2.7958,1.2931],[-2.7958,2.1181],[-2.0814,2.5306],[-1.3669,2.9431],[-0.6524,2.5306],[-1.3669,2.1181],[-2.0814,1.7056],[-0.4577,-2.0076],[0.3673,-2.0076],[-2.671,-2.4569],[-2.671,-1.6319]]
[[46,47,1],[33,32,1],[32,44,1],[44,45,2],[45,29,1],[29,30,2],[30,31,1],[31,32,2],[29,28,1],[28,27,1],[27,26,1],[26,25,1],[25,21,1],[21,22,2],[21,20,1],[20,19,1],[21,23,1],[23,24,1],[33,34,1],[0,1,1],[1,2,1],[2,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[9,10,1],[10,11,1],[10,12,1],[11,12,1],[11,17,1],[12,17,1],[12,13,1],[17,13,1],[17,16,1],[13,16,1],[13,14,1],[16,14,1],[16,15,1],[14,15,1],[35,36,1],[35,34,3],[36,37,1],[36,38,1],[37,38,1],[37,43,1],[38,43,1],[38,39,1],[43,39,1],[43,42,1],[39,42,1],[39,40,1],[42,40,1],[42,41,1],[40,41,1]]
C.CCS(=O)(=O)CCN(C(=O)CC1=CC(C(F)(F)F)=C(F)C=C1)[C@H](C)C1=NC(C2CC2)=C(C(O)C2CC2)N1C1=CC=C(C#N)C=C1
[Chiral].CCS(=O)(=O)CCN(C(=O)CC1=CC(C(F)(F)F)=C(F)C=C1)[C@H](C)C1=NC(C2CC2)=C(C(O)C2CC2)N1C1=CC=C(C#N)C=C1
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CSSC[SH](C)OO
[X1]SS[Z][SH]([X1])OO
[[2.0625,-0.3094],[1.2375,-0.3094],[0.4125,-0.3094],[-0.4125,-0.3094],[-1.2375,-0.3094],[-2.0625,-0.3094],[-0.8803,0.3094],[-0.1658,-0.1031]]
[[5,4,1],[4,3,1],[3,2,1],[2,1,1],[1,0,1],[4,6,1],[6,7,1]]
O=C1COC2=C(Br)C=CC=C2N1.O=C1COC2=C(Br)C=CC=C2N1CC1=CC=CC=C1.[NaH]
O=C1COC2=C(Br)C=CC=C2N1.O=C1COC2=C(Br)C=CC=C2N1CC1=CC=CC=C1.[NaH]
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CC(C)(C)OC(=O)N1CC[C@@](O)(C2=CC=C(Cl)C=C2)[C@H](O)C1.O[C@@H]1CN(CP)CC[C@@]1(O)C1=CC=C(Cl)C=C1.O[C@@H]1CNCC[C@@]1(O)C1=CC=C(Cl)C=C1
CC(C)(C)OC(=O)N1CC[C@@](O)(C2=CC=C(Cl)C=C2)[C@H](O)C1.O[C@@H]1CN(CP)CC[C@@]1(O)C1=CC=C(Cl)C=C1.O[C@@H]1CNCC[C@@]1(O)C1=CC=C(Cl)C=C1
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*.B.C.CC(C)=NOC1CCC(C2CCC(C3CCC(C[Y])CC3)CC2)CC1
*.B.[0].[Rc]C([Rd])=NOC1CCC(C2CCC(C3CCC([X][Y])CC3)CC2)CC1
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[H][C@]12OC[C@@H](OC(=O)C3=C(SC)N=CC=C3)[C@@]1([H])OC[C@@H]2O[N+](=O)[O-]
[H][C@]12OC[C@@H](OC(=O)C3=C(SC)N=CC=C3)[C@@]1([H])OC[C@@H]2O[N+](=O)[O-]
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[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N([4*])C(=O)O[15*].[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N[4*]
[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N([4*])C(=O)O[15*].[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N[4*]
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CCOC(CC1=CC=C(OC/C=C(\C)C#CC2=CC=C3C(=C2)C(=O)C2=C3C=CC(C#C/C(C)=C/COC3=CC=C(CC(OCC)C(=O)O)C=C3)=C2)C=C1)C(=O)O
CCOC(CC1=CC=C(OC/C=C(\C)C#CC2=CC=C3C(=C2)C(=O)C2=C3C=CC(C#C/C(C)=C/COC3=CC=C(CC(OCC)C(=O)O)C=C3)=C2)C=C1)C(=O)O
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COC(=O)C(C)=C(C)C
[R5]OC(=O)C([R3])=C([R2])[R1]
[[2.6338,-1.9484],[1.8826,-0.6479],[0.3803,-0.6479],[-0.3709,-1.9484],[-0.3756,0.6479],[0.3803,1.9484],[-1.8732,0.6479],[-2.6291,-0.6479],[-2.6291,1.9484]]
[[7,6,1],[6,4,2],[4,5,1],[6,8,1],[4,2,1],[2,3,2],[2,1,1],[1,0,1]]
C1=CC=C(C2=CC(C3=CC=CC=C3)=O[Na]O2)C=C1.CC(C)(C)C1=CC(C(C)(C)C)=O[Na]O1.CC(C)(C)C1=O[Na]OC(C(F)(F)C(F)(F)C(F)(F)F)=C1.CC1=CC(C)=O[Ca]O1.CC1=CC(C)=O[Cs]O1.CC1=CC(C)=O[K]O1.CC1=CC(C)=O[Li]O1.CC1=CC(C)=O[Na]O1
C1=CC=C(C2=CC(C3=CC=CC=C3)=O[Na]O2)C=C1.CC(C)(C)C1=CC(C(C)(C)C)=O[Na]O1.CC(C)(C)C1=O[Na]OC(C(F)(F)C(F)(F)C(F)(F)F)=C1.CC1=CC(C)=O[Ca]O1.CC1=CC(C)=O[Cs]O1.CC1=CC(C)=O[K]O1.CC1=CC(C)=O[Li]O1.CC1=CC(C)=O[Na]O1
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C.C.CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
[[].[]].CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
[[-3.6526,2.4695],[4.8685,2.4695],[1.6854,-3.3662],[3.1878,-3.3662],[4.2488,-2.3052],[3.8592,-0.8545],[2.4084,-0.4648],[2.0235,0.9859],[0.5681,1.3756],[0.1831,2.8263],[-1.2676,3.216],[-2.5728,2.4648],[-2.0188,4.5164],[-1.2723,5.8169],[-2.0235,7.1174],[-0.5117,7.1221],[-1.2629,8.4225],[-3.5211,7.1174],[-4.2723,5.8216],[-5.0188,4.5211],[-5.77,5.8216],[-3.5211,4.5211],[3.1878,-4.8685],[1.8873,-5.6197],[1.8873,-7.1221],[0.385,-7.1221],[1.1362,-8.4225],[3.1878,-7.8732],[4.4836,-7.1221],[5.77,-6.3709],[5.77,-7.8732],[4.4836,-5.6197]]
[[3,4,1],[23,24,1],[24,27,1],[27,28,1],[28,31,1],[31,22,1],[23,22,1],[24,25,1],[24,26,1],[28,29,1],[28,30,1],[13,14,1],[14,17,1],[17,18,1],[18,21,1],[14,15,1],[14,16,1],[18,19,1],[18,20,1],[3,22,1],[9,10,1],[10,12,1],[21,12,1],[13,12,1],[3,2,1],[10,11,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1]]
CB*(C)CC(=O)[O-].[1*][N+]([2*])([3*])[4*]
CB*(C)[X]C(=O)[0].[1*][N+]([2*])([3*])[4*]
[[1.8272,1.6887],[0.5769,1.6887],[-0.8282,1.6887],[-1.8272,1.6887],[-0.8282,0.8637],[-0.8282,0.0387],[-0.1138,-0.3738],[-1.5427,-0.3738],[0.3706,-0.0387],[0.3706,-0.8637],[1.1956,-0.8637],[0.3706,-1.6887],[-0.4544,-0.8637]]
[[12,9,1],[9,10,1],[9,8,1],[9,11,1],[3,2,1],[2,1,1],[1,0,1],[2,4,1],[4,5,1],[5,6,2],[5,7,1]]
[H]N(c1ccc(N(N)C(=O)N(N)c2ccccc2C)cc1)C(C)(C)C(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)ON)O(=O)(=O)CCCC
[H]N(c1ccc(N(N)C(=O)N(N)c2ccccc2C)cc1)C(C)(C)C(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)ON)O(=O)(=O)CCCC
[[-0.3572,1.4437],[-0.3572,0.6187],[-1.0717,0.2062],[-1.0717,-0.6187],[-1.7862,-1.0313],[-2.5006,-0.6187],[-3.2151,-1.0313],[-3.2151,-1.8563],[-3.9296,-0.6187],[-3.9296,0.2062],[-4.6441,-1.0313],[-4.6441,-1.8563],[-5.3585,-0.6187],[-5.3585,0.2062],[-6.073,0.6187],[-6.7875,0.2062],[-6.7875,-0.6187],[-6.073,-1.0313],[-6.073,-1.8563],[-2.5006,0.2062],[-1.7862,0.6187],[0.3572,0.2062],[0.7697,0.9207],[-0.0553,-0.5082],[1.0717,-0.2062],[1.0717,-1.0313],[1.7862,0.2062],[2.5006,-0.2062],[2.5006,-1.0313],[1.7862,-1.4437],[1.7862,-2.2687],[1.0717,-2.6812],[2.5006,-2.6812],[3.2151,0.2062],[3.2151,1.0313],[3.9296,-0.2062],[4.6441,0.2062],[4.6441,1.0313],[5.3585,1.4437],[5.3585,2.2687],[4.6441,2.6812],[6.073,2.6812],[6.7875,2.2687],[5.3585,-0.2062],[6.073,0.2062],[6.073,-0.6187],[5.3585,-1.0312],[4.6441,-1.4437],[4.6441,-2.2687],[3.9296,-2.6812]]
[[15,16,4],[16,17,4],[17,12,4],[12,13,4],[13,14,4],[14,15,4],[17,18,1],[12,10,1],[10,8,1],[8,6,1],[6,5,1],[5,4,4],[4,3,4],[3,2,4],[2,20,4],[20,19,4],[19,5,4],[8,9,2],[10,11,1],[6,7,1],[2,1,1],[1,21,1],[21,24,1],[21,22,5],[21,23,5],[1,0,1],[24,25,2],[24,26,1],[26,27,1],[27,33,1],[33,35,1],[33,34,2],[35,36,1],[36,43,1],[43,44,2],[27,28,1],[28,29,1],[29,30,1],[30,31,1],[30,32,1],[36,37,1],[37,38,1],[38,39,1],[39,40,2],[39,41,1],[41,42,1],[43,46,1],[43,45,2],[46,47,1],[47,48,1],[48,49,1]]
CCN(C(=S)SC(C(=O)OC)C1=CC=CC=C1)C1=CC=CC=C1
CCN(C(=S)SC(C(=O)OC)C1=CC=CC=C1)C1=CC=CC=C1
[[-0.4934,-2.2135],[-0.4934,-1.3885],[-0.9059,-0.674],[-0.1914,-0.2615],[-0.1914,0.5635],[0.523,-0.674],[1.2375,-0.2615],[1.952,-0.674],[1.952,-1.499],[2.6664,-0.2615],[3.3809,-0.674],[1.2375,0.5635],[1.952,0.976],[1.952,1.801],[1.2375,2.2135],[0.523,1.801],[0.523,0.976],[-1.7309,-0.674],[-2.1434,0.0405],[-2.9684,0.0405],[-3.3809,-0.674],[-2.9684,-1.3885],[-2.1434,-1.3885]]
[[21,22,2],[22,17,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[17,2,1],[2,3,1],[2,1,1],[3,5,1],[3,4,2],[5,6,1],[1,0,1],[6,7,1],[6,11,1],[11,12,2],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,11,1],[7,9,1],[7,8,2],[9,10,1]]
C.C.CC(C)=O.CCN1CCN(C)C1.CCN1CCN(C)C1.Cl.[Cl-].[K+]
[CF3CFHCF2SO3].[CF3CFHCF2SO3K].CC(C)=O.CCN1CCN(C)C1.CCN1CCN(C)C1.Cl.[Cl-].[K+]
[[1.7852,-1.2584],[-1.1847,1.3906],[1.905,1.5247],[2.6195,1.9372],[3.334,1.5247],[2.6195,2.7622],[2.9066,-2.2772],[2.1922,-1.8647],[1.4777,-2.2772],[1.2228,-1.4926],[0.3978,-1.4926],[0.1428,-2.2772],[-0.5717,-2.6897],[0.8103,-2.7622],[-2.0259,1.3966],[-2.7404,1.8091],[-3.4548,1.3966],[-3.7098,2.1812],[-4.5348,2.1812],[-4.7897,1.3966],[-5.5042,0.9841],[-4.1223,0.9117],[4.6792,-2.2832],[-2.5843,2.4734],[5.5042,-2.2832]]
[[9,10,1],[10,11,1],[11,13,1],[13,8,1],[8,9,1],[11,12,1],[8,7,1],[7,6,1],[2,3,1],[3,4,1],[3,5,2],[17,18,1],[18,19,1],[19,21,1],[21,16,1],[16,17,1],[19,20,1],[16,15,1],[15,14,1]]
[1*]C1(C)C2CC(C3C4C=CC(C4)C32)C1([2*])C
[1*]C1([X1])C2CC(C3C4C=CC(C4)C32)C1([2*])[X2]
[[1.843,0.4109],[1.0181,0.4141],[1.4334,1.127],[0.3052,0.8294],[0.5154,-0.0245],[0.2987,-0.8206],[-0.4141,-0.4053],[-1.1302,-0.815],[-1.843,-0.3996],[-1.8398,0.4253],[-1.1237,0.835],[-0.9135,-0.0189],[-0.4109,0.4197],[1.0148,-0.4109],[1.8398,-0.4141],[1.4245,-1.127]]
[[6,12,1],[12,10,1],[10,9,1],[9,8,2],[8,7,1],[7,6,1],[6,5,1],[5,13,1],[13,1,1],[1,3,1],[3,12,1],[7,11,1],[5,4,1],[3,4,1],[11,10,1],[13,14,1],[1,0,1],[13,15,1],[1,2,1]]
*[U]=*#[3H-]#*.*[U]=*#[3H-]#*
*[U]=*#[3H-]#*.*[U]=*#[3H-]#*
[[-2.6291,0.6479],[-1.8779,-0.6526],[-0.3756,-0.6526],[1.1268,-0.6526],[2.6291,-0.6526],[-2.6291,0.6479],[-1.8779,-0.6526],[-0.3756,-0.6526],[1.1268,-0.6526],[2.6291,-0.6526]]
[[4,3,3],[3,2,3],[2,1,2],[1,0,1],[9,8,3],[8,7,3],[7,6,2],[6,5,1]]
[2*]C.[3*]C.[6*]C.[7*]C.[8*]C(C1=CC=CC=C1)(C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC=CC=C1)C1=CN=CN1C
[2*]C.[3*]C.[6*]C.[7*]C.[8*]C(C1=CC=CC=C1)(C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC=CC=C1)C1=CN=CN1C
[[-3.2852,1.5275],[-2.4602,1.5269],[-2.6649,2.5984],[-2.2534,1.8839],[2.8563,-2.0201],[2.4449,-1.3056],[3.4766,-0.9493],[2.6516,-0.9487],[1.5247,0.2891],[0.8102,-0.1234],[1.5247,-0.5359],[1.5247,-1.3609],[2.2385,-1.7723],[2.953,-1.3609],[2.9536,-0.5359],[2.2391,-0.1234],[0.0957,-0.5359],[-0.6187,-0.1234],[-1.3332,-0.5359],[-1.3332,-1.3609],[-0.6187,-1.7734],[0.0957,-1.3609],[-2.0477,-1.7734],[-2.0477,-2.5984],[-2.7622,-1.3609],[-3.4766,-1.7734],[-2.7622,-0.5359],[-2.0477,-0.1234],[-2.0477,0.7016],[-1.3332,1.1141],[-1.3332,1.9391],[-2.0471,2.3506],[-2.7616,1.9391],[-2.7622,1.1141],[0.8102,0.7016],[0.1428,1.1866],[0.3977,1.9712],[1.2227,1.9712],[1.4776,1.1866],[2.3026,1.1866]]
[[32,33,2],[33,28,1],[28,29,2],[29,30,1],[30,31,2],[31,32,1],[28,27,1],[27,26,2],[26,24,1],[24,22,1],[22,19,1],[19,18,2],[18,27,1],[19,20,1],[20,21,2],[21,16,1],[16,17,2],[17,18,1],[24,25,2],[22,23,1],[16,9,1],[9,10,1],[9,34,1],[9,8,1],[10,11,2],[11,12,1],[12,13,2],[13,14,1],[14,15,2],[15,10,1],[34,38,1],[38,37,1],[37,36,2],[36,35,1],[35,34,2],[38,39,1],[1,0,1],[3,2,1],[7,6,1],[5,4,1]]
CCC(=CC1=[N+](CCS(=O)(=O)[O-])c2cc(-c3ccccc3)ccc2O1)C=C1Oc2cc(C)c(C)cc2N1CCCCS(=O)(=O)O[K]
CCC(=CC1=[N+](CCS(=O)(=O)[O-])c2cc(-c3ccccc3)ccc2O1)C=C1Oc2cc(C)c(C)cc2N1CCCCS(=O)(=O)O[K]
[[1.784,1.5744],[1.0695,1.9869],[0.7145,1.3669],[-0.3621,1.3669],[-1.1871,1.3669],[-1.672,0.6995],[-2.1317,-0.8614],[-2.7151,-0.278],[-3.5114,-0.4834],[-3.3038,-1.2819],[-3.7189,0.3151],[-4.3098,-0.6909],[-2.4566,0.9544],[-3.1711,0.5419],[-3.8855,0.9544],[-4.6,0.5419],[-5.3145,0.9544],[-6.029,0.5419],[-6.029,-0.2831],[-5.3145,-0.6956],[-4.6,-0.2831],[-3.8855,1.7794],[-3.1711,2.1919],[-2.4566,1.7794],[-1.672,2.0344],[1.5395,1.3669],[2.616,1.3669],[3.1009,2.0344],[3.8855,1.7794],[4.6,2.1919],[5.3145,1.7794],[6.029,2.1919],[5.3145,0.9544],[6.029,0.5419],[4.6,0.5419],[3.8855,0.9544],[3.1009,0.6995],[0.0463,-0.6353],[0.6296,-1.2187],[1.4237,-1.0155],[2.0071,-1.5988],[2.8033,-1.3935],[3.0109,-2.1919],[2.5958,-0.595],[3.6018,-1.1859],[3.8213,-0.3907]]
[[14,13,4],[13,12,4],[12,23,4],[23,22,4],[22,21,4],[21,14,4],[14,15,1],[12,5,1],[5,4,2],[4,24,1],[24,23,1],[4,3,1],[3,2,2],[2,25,1],[25,26,2],[28,35,4],[35,34,4],[34,32,4],[32,30,4],[30,29,4],[29,28,4],[28,27,1],[27,26,1],[26,36,1],[36,35,1],[30,31,1],[32,33,1],[15,16,4],[16,17,4],[17,18,4],[18,19,4],[19,20,4],[20,15,4],[5,6,1],[6,7,1],[7,8,1],[8,9,2],[8,10,2],[8,11,1],[2,1,1],[0,1,1],[36,37,1],[37,38,1],[38,39,1],[39,40,1],[40,41,1],[41,42,2],[41,43,2],[41,44,1],[44,45,1]]
C1=CCC=C1.C1=CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1C=CC=C1.CCC1C=CCC1.CCC1CCCC1
C1=CCC=C1.C1=CCCC1.C1CCCC1.C[(R2)n].C[(R1)m].C[(R2)n].C[(R2)n].C[(R1)m].C[(R1)m].C[(R2)n].C[(R1)m].C[(R1)m].C[(R2)n].C[(R2)n].C[(R1)m].CCC1C=CC=C1.CCC1C=CCC1.CCC1CCCC1
[[-2.2524,-5.0526],[-2.5073,-4.268],[-1.8399,-3.783],[-1.1724,-4.268],[-1.4274,-5.0526],[-2.2524,-0.6053],[-2.5073,0.1793],[-1.8399,0.6642],[-1.1724,0.1793],[-1.4274,-0.6053],[-1.4274,3.6099],[-1.1724,4.3945],[-1.8399,4.8795],[-2.5073,4.3945],[-2.2524,3.6099],[-1.8468,-0.3431],[-1.8468,-1.1681],[-2.146,4.132],[-3.1989,3.6325],[-1.8468,3.8721],[-1.8468,3.0471],[2.4844,5.0226],[3.1989,4.6101],[2.117,4.5875],[2.117,3.7625],[-2.146,-0.0832],[-3.1989,-0.5828],[2.4844,0.8074],[3.1989,0.3949],[2.117,0.3723],[2.117,-0.4527],[-2.146,-4.5305],[-3.1989,-5.03],[-1.8468,-4.7904],[-1.8468,-5.6154],[2.4844,-3.6399],[3.1989,-4.0524],[2.117,-4.075],[2.117,-4.9],[-1.7411,-4.2121],[-0.3263,-3.532],[1.485,-3.532],[1.74,-4.3167],[2.565,-4.3167],[2.8199,-3.532],[2.1525,-3.0471],[-1.7411,0.2352],[-0.3263,0.9152],[1.485,0.9152],[1.74,0.1306],[2.565,0.1306],[2.8199,0.9152],[2.1525,1.4002],[-1.7411,4.4504],[-0.3263,5.1305],[1.485,5.1305],[1.74,4.3458],[2.565,4.3458],[2.8199,5.1305],[2.1525,5.6154]]
[[39,40,1],[40,41,1],[42,43,2],[43,44,1],[44,45,2],[45,41,1],[41,42,1],[37,38,1],[35,36,1],[33,34,1],[0,4,1],[4,3,2],[3,2,1],[2,1,1],[1,0,2],[31,32,1],[46,47,1],[47,48,1],[49,50,2],[50,51,1],[51,52,1],[52,48,1],[48,49,1],[29,30,1],[27,28,1],[15,16,1],[5,9,1],[9,8,1],[8,7,1],[7,6,1],[6,5,2],[25,26,1],[53,54,1],[54,55,1],[56,57,1],[57,58,1],[58,59,1],[59,55,1],[55,56,1],[23,24,1],[21,22,1],[19,20,1],[14,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[17,18,1]]
CC.CC.O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2C3.O=C1OC2CCCC1C2.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OCC
C[(R5)k].C[(R5)j].O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2[Y2]3.O=C1OC2CCCC1C2.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)O[Y3]C
[[-0.3299,-13.5261],[0.4671,-13.3131],[-0.1806,-4.3541],[0.5342,-3.9421],[-1.3635,-5.9893],[-0.951,-5.2749],[-1.3635,-4.5604],[-0.951,-3.8459],[-0.126,-3.8459],[0.2865,-4.5604],[-0.126,-5.2749],[-0.5996,-15.1561],[-0.5996,-14.3311],[0.0678,-13.8462],[-0.1451,-13.0492],[-1.0121,-13.0616],[-1.267,-13.8462],[-1.6017,9.7881],[-1.1892,10.5026],[-1.4442,11.2872],[-0.7767,11.7722],[-0.0623,12.1847],[0.6052,11.6997],[0.3502,10.9151],[-0.3642,10.5026],[-0.1093,11.2872],[0.6052,12.5247],[-1.6017,1.7444],[-1.1892,2.4589],[-1.4442,3.2435],[-0.7767,3.7284],[-0.0623,4.1409],[0.6052,3.656],[0.3502,2.8714],[-0.3642,2.4589],[-0.1093,3.2435],[-0.538,-0.8476],[-0.538,-1.6726],[-1.363,-1.6726],[0.287,-1.6726],[1.3635,-1.6726],[-0.538,-2.4976],[-1.363,-2.4976],[-0.538,-3.3226],[-0.538,-4.1476],[-0.2998,7.1124],[-0.2998,6.2874],[-1.1248,6.2874],[0.5252,6.2874],[1.6017,6.2874],[-0.2998,5.4624],[-1.1248,5.4624],[-0.2998,4.6374],[-0.2998,3.8124],[-0.2998,15.1561],[-0.2998,14.3311],[-1.1248,14.3311],[0.5252,14.3311],[1.6017,14.3311],[-0.2998,13.5061],[-1.1248,13.5061],[-0.2998,12.6811],[-0.2998,11.8561],[-0.5383,-9.2587],[-0.5383,-10.0837],[-1.3633,-10.0837],[0.2867,-10.0837],[1.3633,-10.0837],[-0.5383,-10.9087],[-1.3633,-10.9087],[-0.5383,-11.7337],[-0.5383,-12.5587],[-0.5389,-13.3837]]
[[64,66,1],[66,67,1],[64,65,1],[64,68,1],[64,63,1],[68,70,1],[68,69,2],[72,71,1],[70,71,1],[14,15,1],[15,16,1],[16,12,1],[12,13,1],[13,14,1],[12,11,2],[0,1,1],[6,5,1],[5,10,1],[10,9,1],[9,8,1],[8,7,1],[7,6,1],[5,4,2],[2,3,1],[37,39,1],[39,40,1],[37,38,1],[37,41,1],[37,36,1],[41,43,1],[41,42,2],[44,43,1],[46,48,1],[48,49,1],[46,47,1],[46,50,1],[46,45,1],[50,52,1],[50,51,2],[52,53,1],[28,34,1],[34,35,1],[35,30,1],[30,29,1],[29,28,1],[33,32,1],[32,31,1],[30,31,1],[34,33,1],[28,27,2],[55,57,1],[57,58,1],[55,56,1],[55,59,1],[55,54,1],[59,61,1],[59,60,2],[61,62,1],[18,24,1],[24,25,1],[25,20,1],[20,19,1],[19,18,1],[23,22,1],[22,21,1],[20,21,1],[24,23,1],[22,26,1],[25,26,1],[18,17,2]]
*C(CP)N(*)C(=O)[W][C@@H]1CC[C@]2(CO2)[C@@]([H])(C2(C)OC2Ccc(C)C)[C@@H]1[1*]
*C([Z]P)N(*)C(=O)[W][C@@H]1CC[C@]2(CO2)[C@@]([H])(C2(C)OC2Ccc(C)C)[C@@H]1[1*]
[[0.0656,-2.2687],[0.0656,-1.4437],[0.78,-1.0313],[1.4945,-1.4437],[-0.6498,-1.0306],[-0.6498,-0.2056],[-1.3634,-1.4437],[-1.3634,-2.2687],[-2.0779,-1.0313],[-2.0779,-0.2062],[-2.7923,0.2062],[-2.7923,1.0313],[-2.0779,1.4437],[-2.0779,2.2687],[-2.7923,1.8563],[-1.3634,1.0313],[-1.3634,1.8563],[-0.6489,1.4437],[-0.6489,2.2687],[-0.6489,0.6187],[0.0656,1.0313],[0.78,1.4437],[1.4945,1.0313],[2.209,1.4437],[2.6215,2.1582],[2.7923,0.8604],[-1.3634,0.2062],[-0.6489,-0.2062]]
[[11,10,1],[10,9,1],[9,26,1],[26,15,1],[15,12,1],[12,11,1],[15,17,1],[15,16,6],[26,27,6],[9,8,6],[20,17,1],[21,20,1],[22,21,1],[23,22,4],[17,19,1],[19,20,1],[17,18,1],[23,24,1],[12,13,1],[13,14,1],[12,14,5],[23,25,1],[6,8,1],[2,1,1],[3,2,1],[6,7,2],[1,0,1],[6,4,1],[1,4,1],[4,5,1]]
CC(=O)O[SH]=C=O.CN
CC(=O)O[SH]=C=O.[mPEG]N
[[3.0047,-0.2723],[2.2535,-1.5775],[3.0047,-2.8779],[0.7512,-1.5775],[0.0,-2.8779],[-1.5023,-2.8779],[-3.0047,-2.8779],[-0.3192,2.8779],[2.2535,-1.5775]]
[[7,8,1],[1,2,2],[5,6,2],[3,1,1],[3,4,1],[1,0,1],[4,5,2]]
CC.CC(=O)C1=CC=CC=C1S(N)(=O)=O.[6*]N(CC)OOS[7*]
C[(R8)n].[OR1]C(=O)C1=CC=CC=C1S(N)(=O)=O.[6*]N(CC)OOS[7*]
[[0.5441,0.598],[0.0497,1.4543],[2.8938,0.6539],[2.1792,1.0663],[2.1792,1.8913],[1.4648,0.6537],[0.7506,1.0657],[0.0359,0.6537],[0.0359,-0.1713],[0.75,-0.5843],[1.4648,-0.1713],[2.1793,-0.5837],[2.5918,0.1308],[1.7668,-1.2982],[1.4648,-0.1712],[-1.107,-0.1161],[-0.6945,-0.8306],[0.1305,-0.8306],[0.5435,-0.1164],[-2.8938,-1.4788],[-2.1793,-1.8913],[-1.4648,-1.4788],[-2.197,-1.5451]]
[[0,1,1],[7,8,2],[8,9,1],[9,10,2],[10,5,1],[5,6,2],[6,7,1],[5,3,1],[3,2,1],[3,4,2],[10,11,1],[11,13,2],[11,14,2],[11,12,1],[18,17,1],[17,16,1],[16,15,1],[16,19,1],[22,21,1],[19,20,1],[20,21,1]]
CC#CCOC1=CC2=C(C=C1)CN(C[C@@]1(C3=CC=C(C4=C5\N=CN(C(C)C)\C5=N/C=N\4)C=C3)NC(=O)NC1=O)C2=O
CC#CCOC1=CC2=C(C=C1)CN(C[C@@]1(C3=CC=C(C4=C5\N=CN(C(C)C)\C5=N/C=N\4)C=C3)NC(=O)NC1=O)C2=O
[[3.6405,-3.8279],[3.6405,-3.0029],[3.6405,-2.1779],[3.6405,-1.3529],[2.926,-0.9404],[2.2115,-1.3529],[1.4971,-0.9404],[0.7826,-1.3529],[0.7826,-2.1779],[1.4971,-2.5904],[2.2115,-2.1779],[-0.002,-2.4328],[-0.487,-1.7654],[-1.312,-1.7654],[-1.7245,-2.4798],[-1.938,-1.6829],[-1.3546,-1.0996],[-1.5681,-0.3027],[-2.365,-0.0892],[-2.5786,0.7077],[-2.0265,1.3208],[-1.2015,1.3208],[-0.9466,2.1054],[-1.614,2.5904],[-1.614,3.4154],[-2.3285,3.8279],[-0.8996,3.8279],[-2.2815,2.1054],[-3.0884,2.277],[-3.6405,1.6639],[-3.3855,0.8792],[-2.9484,-0.6725],[-2.7349,-1.4694],[-2.5495,-2.4798],[-2.8044,-3.2645],[-3.5189,-3.677],[-2.137,-3.7494],[-1.4695,-3.2645],[-0.755,-3.677],[-0.002,-1.0979],[-0.4145,-0.3835]]
[[8,7,2],[7,39,1],[39,12,1],[12,11,1],[11,8,1],[8,9,1],[9,10,2],[10,5,1],[5,6,2],[6,7,1],[5,4,1],[39,40,2],[14,33,1],[33,34,1],[34,36,1],[36,37,1],[37,14,1],[14,15,5],[34,35,2],[37,38,2],[15,16,2],[16,17,1],[17,18,2],[18,31,1],[31,32,2],[32,15,1],[18,19,1],[12,13,1],[14,13,6],[20,21,1],[21,22,2],[22,23,1],[23,27,1],[27,20,1],[27,28,2],[28,29,1],[29,30,2],[30,19,1],[19,20,2],[4,3,1],[3,2,1],[2,1,3],[1,0,1],[23,24,1],[24,25,1],[24,26,1]]
[H][C@@]12C[C@]3([H])CC4=C(N(C)C)C=C(C5=CC=CC=C5)C(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
[H][C@@]12C[C@]3([H])CC4=C(N(C)C)C=C(C5=CC=CC=C5)C(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
[[1.7862,1.2375],[1.7862,0.4125],[1.0717,0.825],[0.3572,0.4125],[0.3572,1.2375],[-0.3572,0.825],[-1.0717,0.4125],[-1.7862,0.825],[-1.7862,1.65],[-1.0717,2.0625],[-2.5006,2.0625],[-2.5006,0.4125],[-2.5006,-0.4125],[-3.2151,-0.825],[-3.9296,-0.4125],[-4.6441,-0.825],[-4.6441,-1.65],[-3.9296,-2.0625],[-3.2151,-1.65],[-1.7862,-0.825],[-1.7862,-1.65],[-1.0717,-0.4125],[-0.3572,-0.825],[-0.3572,-1.65],[0.3572,-0.4125],[1.0717,-0.825],[1.0717,-1.65],[1.7862,-0.4125],[1.7862,-1.2375],[2.5006,-0.825],[2.5006,-1.65],[3.2151,-0.4125],[3.9296,-0.825],[4.6441,-0.4125],[3.9296,-1.65],[3.2151,0.4125],[3.9296,0.825],[2.5006,0.825],[2.5006,1.65],[1.7862,2.0625],[3.2151,2.0625]]
[[11,12,2],[12,19,1],[19,21,2],[21,6,1],[6,7,2],[7,11,1],[21,22,1],[22,24,1],[24,3,1],[3,5,1],[5,6,1],[24,25,2],[25,27,1],[27,1,1],[1,2,1],[2,3,1],[27,29,1],[29,31,1],[31,35,2],[35,37,1],[37,1,1],[19,20,1],[22,23,2],[25,26,1],[29,30,2],[31,32,1],[32,33,1],[32,34,2],[35,36,1],[3,4,6],[1,0,6],[27,28,6],[37,38,6],[38,39,1],[38,40,1],[7,8,1],[8,9,1],[8,10,1],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,13,1]]
CCCc1c(CCSc2ccc(C(C)=O)c(OC)c2CCC)ccc(OCC)c1O
CCCc1c([X1][(CH2)m]Sc2ccc(C(C)=O)c(O[(CH2)nCOOR2])c2CCC)ccc(OCC)c1O
[[-0.5337,-0.8283],[-1.2482,-1.2408],[-1.9626,-0.8283],[-1.7224,-0.0042],[-1.3577,0.6274],[-0.6864,0.6274],[0.1009,0.6274],[1.6936,0.6274],[2.2296,0.6274],[2.5942,1.2589],[3.3235,1.2589],[3.6882,0.6274],[4.4175,0.6274],[4.83,-0.0871],[4.83,1.3418],[3.3235,-0.0042],[3.6882,-0.6358],[4.3401,-0.6358],[2.5942,-0.0042],[1.7169,-0.6274],[2.1294,-1.3418],[2.9544,-1.3418],[-1.7224,1.2589],[-2.4517,1.2589],[-2.8163,0.6274],[-3.4011,0.8023],[-4.1155,1.2148],[-4.83,0.8023],[-2.4517,-0.0042],[-2.8163,-0.6358]]
[[24,28,4],[28,3,4],[3,4,4],[4,22,4],[22,23,4],[23,24,4],[28,29,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,18,4],[18,15,4],[15,11,4],[11,10,4],[10,9,4],[9,8,4],[15,16,1],[16,17,1],[24,25,1],[25,26,1],[26,27,1],[3,2,1],[2,1,1],[1,0,1],[11,12,1],[12,14,2],[12,13,1],[18,19,1],[19,20,1],[20,21,1]]
*C1=CC([N+]#[C-])=CC(C)=C1CC
*C1=CC([N+]#[C-])=CC([Z])=C1C[CO2R8]
[[0.6187,1.4289],[0.2062,0.7145],[-0.6187,0.7145],[-1.0313,0.0],[-1.8563,0.0],[-1.0313,0.0],[-0.6187,-0.7145],[0.2062,-0.7145],[0.6187,-1.4289],[0.6187,0.0],[1.4437,0.0],[1.8563,-0.7145]]
[[3,6,2],[6,7,1],[7,9,2],[9,1,1],[1,2,2],[2,3,1],[1,0,1],[7,8,1],[9,10,1],[10,11,1],[3,4,1],[4,5,3]]
CS(=O)(=O)N1CCC(NC(=O)OCC2=CC=CC=C2)CC1.O=C(NC1CCNCC1)OCC1=CC=CC=C1
CS(=O)(=O)N1CCC(NC(=O)OCC2=CC=CC=C2)CC1.O=C(NC1CCNCC1)OCC1=CC=CC=C1
[[-2.951,-3.2425],[-2.2366,-2.83],[-2.6491,-2.1155],[-2.2366,-3.655],[-1.4116,-2.83],[-0.9991,-3.5444],[-0.1741,-3.5444],[0.2384,-2.83],[1.0634,-2.83],[1.7779,-3.2425],[1.7779,-4.0675],[2.4924,-2.83],[3.2068,-3.2425],[3.9213,-2.83],[4.6358,-3.2425],[5.3503,-2.83],[5.3503,-2.005],[4.6358,-1.5925],[3.9213,-2.005],[-0.1741,-2.1155],[-0.9991,-2.1155],[-2.1608,1.5925],[-2.1608,2.4175],[-2.8753,2.83],[-3.7003,2.83],[-4.1128,3.5444],[-4.9378,3.5444],[-5.3503,2.83],[-4.9378,2.1155],[-4.1128,2.1155],[-1.4463,2.83],[-0.7318,2.4175],[-0.0174,2.83],[0.6971,2.4175],[1.4116,2.83],[1.4116,3.655],[0.6971,4.0675],[-0.0174,3.655]]
[[0,1,1],[1,4,1],[4,5,1],[5,6,1],[6,7,1],[7,19,1],[19,20,1],[20,4,1],[1,2,2],[1,3,2],[7,8,1],[8,9,1],[9,11,1],[9,10,2],[11,12,1],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,13,1],[25,26,1],[26,27,1],[27,28,1],[28,29,1],[29,24,1],[24,25,1],[24,23,1],[23,22,1],[22,30,1],[30,31,1],[31,32,1],[32,33,2],[33,34,1],[34,35,2],[35,36,1],[36,37,2],[37,32,1],[22,21,2]]
CCC(O)C(CC)OCCOCCOC
CCC(O)C(CC)OCCOCCOC
[[2.5006,1.0312],[1.7862,1.4437],[1.0717,1.0312],[0.3572,1.4437],[1.0717,0.2062],[1.7862,-0.2063],[2.5006,0.2062],[0.3572,-0.2063],[-0.3572,0.2062],[-1.0717,-0.2062],[-1.7862,0.2063],[-2.5006,-0.2062],[-2.5006,-1.0312],[-1.7862,-1.4437],[-1.0717,-1.0312]]
[[4,2,1],[4,5,1],[5,6,1],[0,1,1],[1,2,1],[4,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[2,3,1]]
O=C(/C=C/C=C/C1=C2N=CC=CC2=CC=C1)N1CCN(C(=O)/C=C/C=C/C2=C3N=CC=CC3=CC=C2)CC1
O=C(/C=C/C=C/C1=C2N=CC=CC2=CC=C1)N1CCN(C(=O)/C=C/C=C/C2=C3N=CC=CC3=CC=C2)CC1
[[-2.1737,-2.5117],[-2.1737,-1.2535],[-3.2676,-0.6197],[-4.3568,-1.2535],[-5.446,-0.6197],[-6.5305,-1.2535],[-7.6244,-0.6197],[-7.6244,0.6338],[-6.5305,1.2676],[-6.5305,2.5211],[-7.6244,3.1502],[-8.7183,2.5211],[-8.7183,1.2676],[-9.8122,0.6338],[-9.8122,-0.6197],[-8.7183,-1.2535],[-1.0845,-0.6197],[0.0047,-1.2535],[1.0939,-0.6197],[1.0939,0.6338],[2.1831,1.2676],[2.1831,2.5211],[3.2723,0.6338],[4.3615,1.2676],[5.4554,0.6338],[6.5446,1.2676],[7.6338,0.6338],[7.6338,-0.6197],[6.5446,-1.2535],[6.5446,-2.5117],[7.6338,-3.1502],[8.723,-2.5117],[8.723,-1.2535],[9.8122,-0.6197],[9.8122,0.6338],[8.723,1.2676],[0.0047,1.2676],[-1.0845,0.6338]]
[[6,7,2],[7,12,1],[12,13,2],[13,14,1],[14,15,2],[6,15,1],[6,5,1],[5,4,2],[4,3,1],[3,2,2],[2,1,1],[1,16,1],[1,0,2],[16,17,1],[17,18,1],[18,19,1],[19,36,1],[36,37,1],[16,37,1],[19,20,1],[20,22,1],[20,21,2],[22,23,2],[23,24,1],[24,25,2],[25,26,1],[26,27,2],[27,32,1],[32,33,2],[33,34,1],[34,35,2],[26,35,1],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[12,11,1],[27,28,1],[28,29,2],[29,30,1],[30,31,2],[32,31,1]]
COC1=CC=C(C#CC2=NC=CS2)C=C1.COC1=CC=C(C2=NNN=C2C2=NC=CS2)C=C1.C[Si](C)(C)N=[N+]=[N-]
COC1=CC=C(C#CC2=NC=CS2)C=C1.COC1=CC=C(C2=NNN=C2C2=NC=CS2)C=C1.C[Si](C)(C)N=[N+]=[N-]
[[-5.5297,3.8238],[-5.1172,3.1093],[-4.2922,3.1093],[-3.8797,3.8238],[-3.0547,3.8238],[-2.6422,3.1093],[-1.8172,3.1093],[-0.9922,3.1093],[-0.1672,3.1093],[0.3178,3.7767],[1.1024,3.5218],[1.1024,2.6968],[0.3178,2.4419],[-3.0547,2.3948],[-3.8797,2.3948],[5.5297,0.3037],[4.7047,0.3037],[4.2922,-0.4108],[4.7047,-1.1253],[4.2922,-1.8397],[3.4672,-1.8397],[3.0547,-2.5542],[3.3096,-3.3388],[2.6422,-3.8238],[1.9747,-3.3388],[2.2297,-2.5542],[1.8172,-1.8397],[2.0721,-1.0551],[1.4047,-0.5702],[0.7372,-1.0551],[0.9922,-1.8397],[3.0547,-1.1253],[3.4672,-0.4108],[-3.8554,-3.3415],[-3.8554,-2.5165],[-4.6804,-2.5165],[-3.8554,-1.6915],[-3.6491,-2.8737],[-4.4741,-2.8737],[-5.2991,-2.8737]]
[[34,33,1],[34,35,1],[34,36,1],[34,37,1],[37,38,2],[38,39,2],[21,25,1],[25,24,2],[24,23,1],[23,22,1],[22,21,2],[25,26,1],[21,20,1],[20,19,2],[19,18,1],[18,17,2],[17,32,1],[32,31,2],[31,20,1],[30,26,1],[26,27,2],[27,28,1],[28,29,2],[29,30,1],[17,16,1],[16,15,1],[14,13,2],[13,5,1],[5,4,2],[4,3,1],[3,2,2],[2,14,1],[2,1,1],[1,0,1],[5,6,1],[6,7,3],[7,8,1],[8,12,1],[12,11,1],[11,10,2],[10,9,1],[9,8,2]]
*N1CC2CC(C3=CC=C([RaH])C=C3)=C(C(=O)N([1*])CC)C(C1)N2.C.[1*]N(CC)C(=O)C1=C(C2=CC=C([RaH])C=C2)CC2CNCC1N2C
*N1CC2CC(C3=C[X]=C([RaH])C=C3)=C(C(=O)N([1*])[Q][M])C(C1)N2.[AC].[1*]N([Q][M])C(=O)C1=C(C2=C[X]=C([RaH])C=C2)CC2CNCC1N2[PG]
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[10*]C(=O)NCN([11*])[12*].[10*]C(=O)OCN([11*])[12*]
[10*]C(=O)N[(CH2)c]N([11*])[12*].[10*]C(=O)O[(CH2)c]N([11*])[12*]
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[5*][Si]([6*])([9*]C)O[Si]([7*])([8*])[10*]C
[5*][Si]([6*])([9*]C)O[Si]([7*])([8*])[10*]C
[[-0.6723,0.825],[-0.825,0.0],[-0.6723,-0.825],[-1.65,0.0],[-2.475,0.0],[0.0,0.0],[0.825,0.0],[0.9777,0.825],[0.9777,-0.825],[1.65,0.0],[2.475,0.0]]
[[4,3,1],[3,1,1],[1,5,1],[5,6,1],[6,9,1],[9,10,1],[1,0,1],[6,7,1],[6,8,1],[1,2,1]]
CCCC(=NO)C(C)C
CCCC(=NO)C(C)C
[[-1.7862,-0.4125],[-1.0717,0.0],[-0.3572,-0.4125],[0.3572,0.0],[0.3572,0.825],[1.0717,1.2375],[1.0717,-0.4125],[1.7862,0.0],[1.0717,-1.2375]]
[[1,0,1],[2,1,1],[3,2,1],[6,3,1],[7,6,1],[6,8,1],[3,4,2],[4,5,1]]
CNCC(C1=CC=CC=C1)N(C)C.COC(=O)C(C1=CC=CC=C1)N(C)C.COC(=O)CC(C)N(C)C(=O)OC(C)(C)C.COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C.[1*]N([9*])C([11*])CC([12*])N([2*])[H].[1*]N([9*])C([11*])CC([12*])N([2*])[H].[H]N(C)CCC(C)N(C)C.[H]N(C)[C@@H](C)CNC
CNCC(C1=CC=CC=C1)N(C)C.COC(=O)C(C1=CC=CC=C1)N(C)C.COC(=O)CC(C)N(C)C(=O)OC(C)(C)C.COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C.[1*]N([9*])C([11*])CC([12*])N([2*])[H].[1*]N([9*])C([11*])CC([12*])N([2*])[H].[H]N(C)CCC(C)N(C)C.[H]N(C)[C@@H](C)CNC
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[H]N(C(=O)CCCCCCC(=O)O)C1=CC=CC(C#N)=C1
[H]N(C(=O)CCCCCCC(=O)O)C1=CC=CC(C#N)=C1
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CC1(C2=CC=C(CNC(=O)NCCC3=CC=CC=C3)C=C2)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1
CC1(C2=CC=C(CNC(=O)NCCC3=CC=CC=C3)C=C2)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1
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C.[1*]C1[C@H](B)O[C@H](CO[P@](C)(=[Y])O[C@@H]2C([2*])[C@@H](B)O[C@@H]2COP(C)(O)=[Y][Y])[C@@H]1O
[IIa].[1*]C1[C@H](B)O[C@H](CO[P@]([X])(=[Y])O[C@@H]2C([2*])[C@@H](B)O[C@@H]2COP(C)(O)=[Y][Y])[C@@H]1O
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[[22,21,1],[22,24,1],[21,20,1],[20,19,1],[13,14,5],[16,14,5],[16,18,1],[18,19,1],[19,13,5],[16,17,1],[14,15,1],[13,12,1],[12,9,6],[9,8,5],[9,10,5],[8,7,1],[7,6,1],[27,2,5],[3,2,5],[3,5,1],[5,6,1],[6,27,5],[3,4,1],[2,1,1],[27,28,1],[22,23,1],[9,11,2],[22,25,2],[25,26,1]]
*N([H])C1C[Y]C1=C
*N([H])C1[(CH2)n][Y]C1=[X]
[[-1.4448,0.4125],[-0.6198,0.4125],[-0.6198,-0.4125],[0.2052,0.4125],[0.3661,1.0323],[1.4448,0.4125],[0.825,-0.2073],[0.825,-1.0323]]
[[1,3,1],[1,2,1],[1,0,1],[3,6,1],[6,5,1],[4,5,1],[4,3,1],[6,7,2]]
COC1=C(C2=C(C3=C(C=O)SC4=C3C=CC=C4)CCC2)C2=C(C=CC=C2)S1.FF.FF.FF
COC1=C(C2=C(C3=C(C=O)SC4=C3C=CC=C4)CCC2)C2=C(C=CC=C2)S1.FF.FF.FF
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CC.CC.CC.CC.[4*]N(C1=CC=CC=C1)C1=NN2C(=NN=C2CC2=CC=CC=C2)C=C1.[4*]N(C1=NN2C(=NN=C2CC2=CC=CC=C2)C=C1)C1CCCCC1
C[(QRX)x].C[y(RYZ)].C[(QRX)x].C[y(RYZ)].[4*]N(C1=CC=CC=C1)C1=NN2C(=NN=C2[NR]C2=CC=CC=C2)C=C1.[4*]N(C1=NN2C(=NN=C2[NR]C2=CC=CC=C2)C=C1)C1CCCCC1
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O=C1N=C2NCCCC2=CN1C1CC(O)C(CO)O1.O=C1N=C2NCCCC2=CN1C1CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
O=C1N=C2NCCCC2=CN1C1CC(O)C(CO)O1.O=C1N=C2NCCCC2=CN1C1CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
[[-3.3415,4.5592],[-2.627,4.9717],[-2.627,5.7967],[-1.9125,6.2092],[-1.9125,7.0342],[-1.198,7.4467],[-0.4836,7.0342],[-0.4836,6.2092],[-1.198,5.7967],[-1.198,4.9717],[-1.9125,4.5592],[-1.9125,2.9608],[-2.1675,2.1761],[-2.9925,2.1761],[-2.9925,1.3511],[-3.2474,2.9608],[-3.2474,3.7858],[-3.9435,3.7858],[-2.58,3.4457],[1.3471,-4.2386],[2.0615,-3.8261],[2.0615,-3.0011],[2.776,-2.5886],[2.776,-1.7636],[3.4905,-1.3511],[4.205,-1.7636],[4.205,-2.5886],[3.4905,-3.0011],[3.4905,-3.8261],[2.776,-4.2386],[2.776,-5.8371],[2.5211,-6.6217],[1.6961,-6.6217],[1.6961,-7.4467],[1.4411,-5.8371],[1.4411,-5.0121],[0.745,-5.0121],[-0.08,-5.0121],[-0.08,-4.1871],[-0.08,-5.8371],[-0.905,-5.0121],[-1.73,-5.0121],[-1.73,-4.1871],[-1.73,-5.8371],[-2.555,-5.0121],[-3.38,-5.0121],[-3.38,-4.1871],[-4.205,-5.0121],[-3.38,-5.8371],[2.1086,-5.3522]]
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*I.CC[C@@]1(C)CCC2[C@](C)(CC[C@@H](C)[C@@]2(C)CC)[C@H]1C/C=C1/C(=O)OC[C@H]1[Y]
*I.[R4]C[C@@]1([R5])CCC2[C@](C)(CC[C@@H]([P1O])[C@@]2(C)C[P2O])[C@H]1C/C=C1/C(=O)OC[C@H]1[Y]
[[-6.061,5.615],[-7.5634,5.615],[7.4084,-2.061],[6.108,-1.3099],[4.8075,-2.061],[6.108,-2.8122],[4.8075,-3.5634],[3.5117,-4.3146],[2.2113,-3.5634],[2.2113,-2.061],[2.2113,-0.5587],[0.9155,-1.3099],[-0.385,-2.061],[-0.385,-3.5634],[-1.6854,-4.3146],[0.9155,-4.3146],[1.6667,-5.615],[0.1643,-5.615],[-1.338,-5.615],[3.5117,-1.3099],[3.5117,0.1925],[4.8075,0.9437],[4.8075,2.446],[6.2629,2.8357],[7.5634,2.0845],[6.2629,4.3333],[4.8075,4.8685],[3.8638,3.6948],[2.3615,3.6948]]
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C.C[C@H]1CN(/C(=N\C2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N(C)C(COC2=C(F)C=C(F)C=C2)=N3)CCN1
[Chiral].C[C@H]1CN(/C(=N\C2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N(C)C(COC2=C(F)C=C(F)C=C2)=N3)CCN1
[[5.8998,2.8322],[4.8173,0.0553],[4.1028,-0.3572],[3.3884,0.0553],[2.6739,-0.3572],[1.9594,0.0553],[1.9594,0.8803],[2.6739,1.2928],[3.3884,0.8803],[4.1028,1.2928],[3.3884,1.7053],[3.3884,2.5303],[2.6739,2.1178],[1.9594,2.5303],[4.1028,2.1178],[4.9278,2.1178],[4.5153,2.8322],[1.2449,-0.3572],[0.5305,0.0553],[-0.184,-0.3572],[-0.8985,0.0553],[-0.8985,0.8803],[-0.184,1.2928],[0.5305,0.8803],[-1.6129,1.2928],[-1.6129,2.1178],[-2.3274,0.8803],[-3.0419,1.2928],[-2.3274,0.0553],[-3.0419,-0.3572],[-3.0419,-1.1822],[-3.7564,-1.5947],[-4.4708,-1.1822],[-4.4708,-0.3572],[-5.1853,-1.5947],[-5.1853,-2.4197],[-5.8998,-2.8322],[-4.4708,-2.8322],[-3.7564,-2.4197],[-1.6129,-0.3572],[2.6739,-1.1822],[3.3884,-1.5947],[4.1028,-1.1822]]
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BC1=C2C=C(S(=O)(=O)OC)C(/N=N/C3=CC=C(C)C=C3)=C(O)C2=CC=C1C.COOOSC
BC1=C2C=C(S(=O)(=O)O[M])C(/N=N/C3=CC=C([OR6])C=C3)=C(O)C2=CC=C1C.[M]OOOSC
[[-2.5006,-2.6352],[-2.5006,-1.8102],[-1.7862,-1.3977],[-1.0717,-1.8102],[-0.3572,-1.3977],[0.8803,-1.8102],[1.2928,-1.0957],[0.1658,-1.3977],[0.4678,-2.5246],[-0.3572,-2.5246],[-0.3572,-0.5727],[0.3572,-0.1602],[1.0717,-0.5727],[1.7862,-0.1602],[1.7862,0.6648],[2.5006,1.0773],[3.2151,0.6648],[3.9296,1.0773],[3.2151,-0.1602],[2.5006,-0.5727],[-1.0717,-0.1602],[-1.0717,0.6648],[-1.7862,-0.5727],[-2.5006,-0.1602],[-3.2151,-0.5727],[-3.2151,-1.3977],[-3.9296,-1.8102],[1.2073,2.6352],[1.2073,1.8102],[1.9218,1.3977],[2.6363,1.8102],[3.3507,1.3977],[2.43,0.5875]]
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*OC(=O)CC(O)C(=O)O*.COC(=O)CC(O)CO.O=C1CC(O)CO1
*OC(=O)CC(O)C(=O)O*.COC(=O)CC(O)CO.O=C1CC(O)CO1
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CN1CCC(CC2CCN(C)CC2)CC1.[1*]C1CN(C)CCN1C.[2*]N(C)CCCN([3*])C
CN1CC[Y1]([(CH2)n][Y2]2CCN(C)CC2)CC1.[1*]C1CN(C)[(CH2)m]CN1C.[2*]N(C)[(CH2)p][Z][(CH2)q]N([3*])C
[[-3.6758,-0.3311],[-2.8508,-0.3311],[-2.4383,-1.0455],[-1.6133,-1.0455],[-1.2008,-0.3311],[-0.3758,-0.3311],[1.2008,-0.3311],[1.6133,-1.0455],[2.4383,-1.0455],[2.8508,-0.3311],[3.6758,-0.3311],[2.4383,0.3834],[1.6133,0.3834],[-1.6133,0.3834],[-2.4383,0.3834],[-2.8508,1.4723],[-2.4383,2.1868],[-1.6133,2.1868],[-1.2008,2.9012],[-0.3758,2.9012],[-1.6133,3.6157],[-2.4383,3.6157],[-2.8508,2.9012],[-3.6758,2.9012],[-2.8508,-3.6157],[-2.8508,-2.7907],[-3.6758,-2.7907],[-2.0258,-2.7907],[-0.4492,-2.7907],[0.3758,-2.7907],[1.9524,-2.7907],[1.9524,-3.6157],[2.7774,-2.7907]]
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CC.[2*]N(CC(C)C)C1CCN([W])C1
C[(R1)n].[2*]N([L1][X1]([A2])[A1])C1CCN([W])C1
[[-1.4139,0.0009],[-2.1284,0.4134],[0.3712,0.8273],[0.3712,0.0023],[1.1962,0.0023],[2.0212,0.0023],[2.4337,-0.7122],[2.4337,0.7168],[-0.4538,0.0009],[-0.9339,0.6646],[-1.7193,0.412],[-1.7193,-0.4148],[-2.4337,-0.8273],[-0.9339,-0.6674]]
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CC1(C)OCC2=C(C=CC(C(=O)CBr)=C2)O1.CC1(C)OCC2=C(C=CC(C3CO3)=C2)O1.OCC1=C(O)C=CC=C1
CC1(C)OCC2=C(C=CC(C(=O)CBr)=C2)O1.CC1(C)OCC2=C(C=CC(C3CO3)=C2)O1.OCC1=C(O)C=CC=C1
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CN1C[C@H](O)CC1C(=O)O.CO[C@@H]1CC(C(=O)O)N(C)C1.II.I[IH]I.[2*]C1=[W]C2=C(C=C(C)C(C)=C2C)C(C)=C1.[V]I
[PG]N1C[C@H](O)CC1C(=O)O.[Q]O[C@@H]1CC(C(=O)O)N([PG])C1.II.I[IH]I.[2*]C1=[W]C2=C(C=C([L2])C([L0])=C2[L1])C([X])=C1.[V]I
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[[18,14,1],[14,13,1],[13,12,1],[12,20,1],[20,18,1],[18,19,1],[12,11,6],[11,10,1],[14,15,1],[15,16,2],[15,17,1],[42,41,1],[36,34,2],[34,32,1],[32,31,2],[31,30,1],[30,29,2],[29,36,1],[30,38,1],[38,40,2],[40,27,1],[27,28,2],[28,29,1],[36,37,1],[34,35,1],[32,33,1],[38,39,1],[27,26,1],[23,24,1],[24,25,1],[1,6,1],[6,5,1],[5,3,1],[3,2,1],[2,1,1],[1,0,1],[3,4,6],[6,7,1],[7,8,2],[7,9,1],[21,22,1]]
[2*]C1=CC(C#CC2=CC3=C(C=C2)C(C(=O)OCC)=C(C)CC3(C)C)=CC=C1CC(=O)O
[2*]C1=CC(C#CC2=CC3=C(C=C2)C(C(=O)OCC)=C(C)CC3(C)C)=CC=C1CC(=O)O
[[3.6052,0.33],[2.8908,0.7426],[2.1765,0.3303],[1.4618,0.7426],[0.7477,0.3301],[0.0335,-0.0824],[-0.6809,-0.4949],[-1.3954,-0.0824],[-2.1099,-0.4949],[-2.1099,-1.3199],[-1.3954,-1.7324],[-0.6809,-1.3199],[-2.8243,-1.7324],[-2.6697,-1.9801],[-1.8447,-1.9801],[-3.0822,-1.2657],[-3.9072,-1.2657],[-4.3197,-1.9801],[-3.5388,-1.3199],[-4.2533,-1.7324],[-3.5388,-0.4949],[-2.8243,-0.0824],[-3.2368,0.632],[-2.4118,0.632],[1.4618,1.5676],[2.1765,1.9798],[2.8908,1.5676],[3.6052,1.9801],[4.3197,1.1551],[4.3197,1.9801],[3.6052,0.7426]]
[[20,18,1],[18,12,2],[12,9,1],[9,8,2],[8,21,1],[21,20,1],[9,10,1],[10,11,2],[11,6,1],[6,7,2],[7,8,1],[21,22,1],[21,23,1],[6,5,1],[18,19,1],[5,4,3],[4,3,1],[3,2,1],[2,1,2],[1,26,1],[26,25,2],[25,24,1],[24,3,2],[1,0,1],[26,27,1],[27,28,1],[28,29,2],[28,30,1],[12,13,1],[13,14,2],[13,15,1],[15,16,1],[17,16,1]]
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