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USPTO-680k

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21
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C.C.CCCC[Sn](CCCC)(CCCC)N=[N+]=[N-].ClC1=CC=C(C(OC2=CC=C(Cl)C=C2N2N=C3C=CC=CC3=N2)C2=NN=NN2)C=C1.N#CC(OC1=CC=C(Cl)C=C1N1N=C2C=CC=CC2=N1)C1=CC=C(Cl)C=C1
[239-S3].[239].CCCC[Sn](CCCC)(CCCC)N=[N+]=[N-].ClC1=CC=C(C(OC2=CC=C(Cl)C=C2N2N=C3C=CC=CC3=N2)C2=NN=NN2)C=C1.N#CC(OC1=CC=C(Cl)C=C1N1N=C2C=CC=CC2=N1)C1=CC=C(Cl)C=C1
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CN(C)C1=C(C#N)C(C2=CC=CC(O)=C2)=C(C2=NC(NC3=CC(OCCCN4CCN(CCO)CC4)=CC=C3)=NC=C2)S1.[IH106+105].[V]
CN(C)C1=C(C#N)C(C2=CC=CC(O)=C2)=C(C2=NC(NC3=CC(OCCCN4CCN(CCO)CC4)=CC=C3)=NC=C2)S1.[IH106+105].[V]
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CC(C)(C)N1CCN(CCOCCO)CC1
CC(C)(C)N1CCN(CCOCCO)CC1
[[-3.5724,0.8803],[-2.8579,0.4678],[-2.4454,1.1822],[-3.2704,-0.2467],[-2.1434,0.0553],[-2.1434,-0.7697],[-1.4289,-1.1822],[-0.7145,-0.7697],[-0.0,-1.1822],[0.7145,-0.7697],[1.4289,-1.1822],[2.1434,-0.7697],[2.8579,-1.1822],[3.5724,-0.7697],[-0.7145,0.0553],[-1.4289,0.4678]]
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CCC1(COC2=CC=C(C(=O)OC3=CC=C(OC(F)(F)F)C=C3)C=C2)COC1
CCC1(COC2=CC=C(C(=O)OC3=CC=C(OC(F)(F)F)C=C3)C=C2)COC1
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CC(C)CNCC1=CC2=C(C=C1)[C@H](NC(=O)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1)C1=CC(Cl)=CC(Cl)=C1)CCO2
CC(C)CNCC1=CC2=C(C=C1)[C@H](NC(=O)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1)C1=CC(Cl)=CC(Cl)=C1)CCO2
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[[29,24,2],[24,23,1],[23,22,2],[22,31,1],[31,30,2],[30,29,1],[24,25,1],[25,26,1],[25,27,1],[25,28,1],[22,19,1],[19,18,1],[19,20,2],[19,21,2],[18,17,1],[17,16,1],[16,14,1],[14,13,1],[14,15,2],[17,32,1],[12,13,6],[32,33,2],[33,34,1],[34,36,2],[36,37,1],[37,39,2],[39,32,1],[12,9,1],[9,8,2],[8,42,1],[42,41,1],[41,40,1],[40...
[3*]NC(=O)N[C@@H]1C[C@@H]1CN1CCCC(CC)C1
[3*]NC(=O)N[C@@H]1C[C@@H]1CN1CCCC(C[G])C1
[[3.5724,-1.0313],[2.8579,-0.6187],[2.1434,-1.0313],[2.1434,-1.8563],[1.4289,-0.6187],[1.4289,0.2062],[1.4289,1.0313],[0.7145,0.6187],[0.0,0.2062],[-0.7145,0.6187],[-0.7145,1.4437],[-1.4289,1.8563],[-2.1434,1.4437],[-2.1434,0.6187],[-2.8579,0.2062],[-3.5724,0.6187],[-1.4289,0.2062]]
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CN1C=C[N]=C1.COCC(C)CCl.COCC(C)CN1C=CN(C)C1.COCC(C)C[N+]1=CN(C)C=C1.[2HH].[Cl-].[Cl-]
CN1C=C[N]=C1.COCC(C)CCl.COCC(C)CN1C=CN(C)C1.COCC(C)C[N+]1=CN(C)C=C1.[2HH].[Cl-].[Cl-]
[[-1.8162,2.033],[-2.5307,2.4455],[-2.7856,3.2301],[-3.6106,3.2301],[-3.8656,2.4455],[-3.1981,1.9606],[-2.1443,4.2743],[-2.9693,4.2743],[-3.7943,4.2743],[-4.6193,4.2743],[-5.4443,4.2743],[-4.6193,3.4493],[-5.3338,3.0368],[5.4443,-0.7508],[4.6193,-0.7508],[3.7943,-0.7508],[2.9693,-0.7508],[2.1443,-0.7508],[2.9693,-1.575...
[[2,3,2],[3,4,1],[4,5,2],[5,1,1],[1,2,1],[1,0,1],[10,9,1],[9,8,1],[8,7,1],[9,11,1],[11,12,1],[7,6,1],[36,31,1],[31,32,2],[32,33,1],[33,35,1],[35,36,2],[31,30,1],[33,34,1],[30,28,1],[28,29,1],[28,27,1],[27,26,1],[26,25,1],[20,19,1],[19,24,1],[24,22,1],[22,21,1],[21,20,2],[19,18,1],[22,23,1],[18,16,1],[16,17,1],[16,15,1]...
CF.CO.FF.FF.FF.[6*]C(C)(CC([6*])(CC([21*])([22*])CC)C1=CC=CC=C1)C1=CC=CC=C1
CF.CO.FF.FF.FF.[6*][(C](C)([CH2)p][(C]([6*])([CH2)r][(C]([21*])([22*])[CH2)f]C)C1=CC=CC=C1)C1=CC=CC=C1
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CCC1=C(CC)/C2=C/C3=N4/C(=C\C5=C(CC)\C(CC)=C6\C=C7\C(CC)=C(CC)C8=N7[Pt]4(N2C1=C8)N65)C(CC)=C3CC
CCC1=C(CC)/C2=C/C3=N4/C(=C\C5=C(CC)\C(CC)=C6\C=C7\C(CC)=C(CC)C8=N7[Pt]4(N2C1=C8)N65)C(CC)=C3CC
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CC1=CC(C(=O)N[C@H](CC(=O)O)C2=CC=CC=C2)=CC(C)=C1OC1=CC=CC2=C1N=C(N)N2C
CC1=CC(C(=O)N[C@H](CC(=O)O)C2=CC=CC=C2)=CC(C)=C1OC1=CC=CC2=C1N=C(N)N2C
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*CCC.*CCC.*c.*c.Cc1cc2cc3ccccc3cc2cc1C.Cc1cc2ccccc2cc1C.Cc1ccc2cc3ccccc3cc2c1C.Cc1ccc2ccccc2c1C
*CCC.*CCC.*c.*c.Cc1cc2cc3ccccc3cc2cc1C.Cc1cc2ccccc2cc1C.Cc1ccc2cc3ccccc3cc2c1C.Cc1ccc2ccccc2c1C
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[[63,62,4],[62,61,4],[61,60,4],[60,65,4],[65,64,4],[63,64,4],[60,59,4],[59,58,4],[58,57,4],[57,66,4],[65,66,4],[66,67,1],[57,56,1],[1,0,1],[1,2,1],[2,3,1],[33,34,4],[34,35,4],[35,36,4],[36,31,4],[31,32,4],[33,32,4],[36,37,4],[37,38,4],[38,29,4],[29,30,4],[31,30,4],[29,28,1],[38,39,1],[5,4,1],[5,6,1],[6,7,1],[49,48,4],[...
*/C=*(\C)C(/B(C)=C/C)(C(C)(C)C)C(C)(C)C
*/C=*(\[(R)v])C(/B([(R)x])=C/[(R)y])(C([ORII])([RI])[RI])C([ORII])([RI])[RI]
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C[C@@](N)(CCC1=CC=C(OCCCCCC2=CC=CC=C2)C=C1)COP(=O)(O)O
C[C@@](N)(CCC1=CC=C(OCCCCCC2=CC=CC=C2)C=C1)COP(=O)(O)O
[[-3.4524,1.6281],[-3.8253,0.9822],[-4.1982,1.6281],[-3.1794,0.6093],[-2.5336,0.9822],[-1.8877,0.6093],[-1.8877,-0.1365],[-1.2418,-0.5094],[-0.5959,-0.1365],[0.05,-0.5094],[0.6958,-0.1365],[1.3417,-0.5094],[1.9876,-0.1365],[2.6335,-0.5094],[3.2794,-0.1365],[3.9253,-0.5094],[3.9252,-1.2552],[4.5711,-1.6281],[5.217,-1.25...
[[5,6,2],[6,7,1],[7,8,2],[8,21,1],[21,22,2],[22,5,1],[5,4,1],[4,3,1],[1,3,6],[1,23,1],[1,0,5],[1,2,1],[23,24,1],[24,25,1],[25,27,1],[25,28,1],[25,26,2],[8,9,1],[9,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,19,1],[19,20,2],[20,15,1]]
CC[C@H](C)C(NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@H]1CC(C)C2O[C@@]2(C)C1=O)[C@@H](C)O
CC[C@H](C)C(NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@H]1CC(C)C2O[C@@]2(C)C1=O)[C@@H](C)O
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[[16,15,1],[15,13,1],[15,17,2],[8,13,6],[8,9,1],[9,11,1],[5,6,1],[6,8,1],[6,7,2],[5,4,1],[11,12,1],[4,18,1],[18,20,1],[1,2,1],[2,4,1],[21,20,6],[21,22,1],[21,35,1],[35,36,5],[22,23,2],[22,24,1],[25,24,5],[25,33,1],[33,31,1],[31,29,1],[29,27,1],[27,26,1],[26,25,1],[27,28,1],[33,34,2],[31,30,5],[30,29,1],[31,32,1],[1,0,1...
[H]OC1=C(/N=N/C2=CC=CC=C2C(=O)OCOC(=O)C2=C(/N=N/C3=C(O[H])N(CC(CC)CCCC)C(=O)C(C#N)=C3C)C=CC=C2)C(C)=C(C#N)C(=O)N1CC(CC)CCCC
[H]OC1=C(/N=N/C2=CC=CC=C2C(=O)O[C36H64+n]OC(=O)C2=C(/N=N/C3=C(O[H])N(CC(CC)CCCC)C(=O)C(C#N)=C3C)C=CC=C2)C(C)=C(C#N)C(=O)N1CC(CC)CCCC
[[3.4936,1.4437],[4.2081,1.0313],[4.9225,1.4437],[4.9225,2.2687],[4.2081,2.6812],[3.4936,2.2687],[2.7791,2.6812],[2.7791,3.5062],[2.0646,3.9187],[1.3502,3.5062],[1.3502,2.6812],[2.0646,2.2687],[2.0646,1.4437],[2.7791,1.0313],[1.3502,1.0313],[-0.5252,1.0313],[-1.3502,1.0313],[-2.0646,1.4437],[-2.7791,1.0313],[-2.0646,2....
[[38,36,1],[36,27,1],[27,24,1],[24,23,2],[23,41,1],[41,38,2],[24,25,1],[25,26,1],[21,22,2],[22,23,1],[18,17,2],[17,19,1],[19,20,2],[20,21,1],[19,46,1],[46,45,2],[45,44,1],[44,43,2],[43,20,1],[38,39,1],[39,40,3],[36,37,2],[27,28,1],[41,42,1],[17,16,1],[16,15,1],[15,14,1],[14,12,1],[12,11,1],[12,13,2],[11,6,1],[6,7,2],[7...
CN.CN(C)[Y]C1=CC=C([W])C([N+](=O)[O-])=C1.CN(C)[Y]C1=CC=C([W])C=C1.CN(C)[Y]C1=CC=C([W])C=C1[N+](=O)[O-]
CN.[P2]N([P1])[Y]C1=CC=C([W])C([N+](=O)[O-])=C1.[P2]N([P1])[Y]C1=CC=C([W])C=C1.[P2]N([P1])[Y]C1=CC=C([W])C=C1[N+](=O)[O-]
[[3.7816,-4.6574],[3.7822,-3.8324],[-3.8158,-1.6851],[-3.4033,-0.9707],[-3.8158,-0.2562],[-2.5783,-0.9707],[-1.7533,-0.9707],[-1.3408,-1.6851],[-0.5158,-1.6851],[-0.1033,-0.9707],[0.7217,-0.9707],[-0.5158,-0.2562],[-0.1045,0.4602],[-0.517,1.1747],[0.7205,0.4602],[-1.3408,-0.2562],[0.8938,-5.7844],[1.3063,-5.0699],[0.89...
[[17,19,1],[17,16,1],[17,18,1],[19,20,1],[20,21,2],[21,22,1],[22,23,2],[23,25,1],[25,26,2],[26,20,1],[23,24,1],[0,1,1],[3,5,1],[3,2,1],[3,4,1],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,11,1],[11,15,2],[15,6,1],[9,10,1],[11,12,1],[12,13,2],[12,14,1],[28,30,1],[28,27,1],[28,29,1],[30,31,1],[31,32,2],[32,33,1],[33,34,2],[34,36,1...
COC(=O)C1=CC=C2C(=C1)N=C(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)N2CCO.COC(=O)C1=CC=C2N=C(NC(=O)C3=CC=CC([N+](=O)[O-])=C3)N(CCO)C2=C1
COC(=O)C1=CC=C2C(=C1)N=C(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)N2CCO.COC(=O)C1=CC=C2N=C(NC(=O)C3=CC=CC([N+](=O)[O-])=C3)N(CCO)C2=C1
[[-5.6194,5.1016],[-5.2069,5.816],[-4.3819,5.816],[-3.9694,6.5305],[-3.9694,5.1016],[-4.3819,4.3871],[-3.9694,3.6726],[-3.1444,3.6726],[-2.7319,4.3871],[-3.1444,5.1016],[-1.925,4.2156],[-1.8387,3.3951],[-1.1243,2.9826],[-0.4098,3.3951],[-0.4098,4.2201],[0.3047,2.9826],[0.3047,2.1576],[1.0191,1.7451],[1.7336,2.1576],[1....
[[55,54,2],[54,35,1],[35,34,2],[34,33,1],[33,32,2],[32,55,1],[54,50,1],[50,37,1],[37,36,2],[36,35,1],[38,37,1],[39,38,1],[41,39,1],[39,40,2],[41,42,2],[42,43,1],[43,44,2],[44,45,1],[45,49,2],[49,41,1],[30,32,1],[29,30,1],[28,29,1],[30,31,2],[51,50,1],[52,51,1],[53,52,1],[45,46,1],[46,47,2],[46,48,1],[6,7,2],[7,8,1],[8,...
*CCC([1*])C.*CCC([1*])C(CC[1*])CC([1*])C
*[(NH]C[CH)x]([1*])[NHR].*[(NH]C[CH)x]([1*])[(N](C[CH)y][1*])CC([1*])[NHR]
[[-3.3958,2.2075],[-2.5708,2.2075],[-1.2933,2.2075],[-0.2167,2.2075],[-0.2167,1.3825],[1.0506,2.2075],[-3.3958,-0.5575],[-2.5708,-0.5575],[-1.2933,-0.5575],[-0.2167,-0.5575],[-0.2167,-1.3825],[1.0506,-0.5575],[2.0677,-0.5575],[3.1443,-0.5575],[3.1443,0.2675],[1.2427,-1.3825],[2.3193,-1.3825],[2.3193,-2.2075],[3.3958,-1...
[[6,7,1],[7,8,1],[8,9,1],[9,11,1],[9,10,1],[11,12,1],[11,15,1],[12,13,1],[15,16,1],[13,14,1],[16,17,1],[16,18,1],[0,1,1],[1,2,1],[2,3,1],[3,5,1],[3,4,1]]
CC(C)N[C@@H](CNC(=N)NC(=N)N)C(=O)C(C)C
CC(C)N[C@@H](CNC(=N)NC(=N)N)C(=O)C(C)C
[[-1.4289,-0.6997],[-1.4289,-1.5247],[-1.4289,-2.3497],[-0.7145,-1.9372],[0.0,-1.5247],[0.4125,-0.8102],[0.0,-0.0957],[0.4125,0.6187],[1.127,1.0312],[0.0,1.3332],[0.4125,2.0477],[1.127,2.4602],[0.0,2.7622],[0.7145,-1.9372],[0.7145,-2.7622],[1.4289,-1.5247],[1.4289,-0.6997],[1.4289,-2.3497]]
[[9,7,1],[7,6,1],[6,5,1],[4,5,5],[4,3,1],[4,13,1],[13,15,1],[3,1,1],[13,14,2],[1,0,1],[1,2,1],[15,16,1],[15,17,1],[9,10,1],[10,12,1],[10,11,2],[7,8,2]]
[1*][Si]([3*])(C)CC.[1*][Si]([3*])(C)CC.[1*][Si]([3*])(CC)OC.[1*][Si]([3*])(CC)OC
[1*][Si]([3*])(C)[(OCnH2n)]C.[1*][Si]([3*])(C)[(CnH2nO)]C.[1*][Si]([3*])([(OC2H2n)]C)OC.[1*][Si]([3*])([(CnH2nO)]C)OC
[[-4.1079,-1.1569],[-4.1079,-1.9819],[-4.1079,-2.8069],[-4.9329,-1.9819],[-3.1302,-1.9819],[-1.0354,-1.9819],[0.204,-1.1569],[0.204,-1.9819],[0.204,-2.8069],[-0.621,-1.9819],[1.1817,-1.9819],[3.2765,-1.9819],[-2.0131,2.8069],[-2.0131,1.9819],[-2.0131,1.1569],[-4.1079,1.9819],[-4.9329,1.9819],[-1.0354,1.9819],[-0.2104,1...
[[3,1,1],[1,0,1],[1,2,1],[1,4,1],[4,5,1],[9,7,1],[7,6,1],[7,8,1],[7,10,1],[10,11,1],[16,15,1],[15,13,1],[13,12,1],[13,14,1],[13,17,1],[17,18,1],[23,22,1],[22,20,1],[20,19,1],[20,21,1],[20,24,1],[24,25,1]]
[H]/C(=N\CC=C)C(=O)OCC
[H]/C(=N\CC=C)C(=O)OCC
[[1.6668,1.1881],[0.9523,0.7756],[0.9523,-0.0494],[1.5357,-0.6328],[1.3222,-1.4297],[1.9055,-2.0131],[0.2379,1.1881],[0.2379,2.0131],[-0.4766,0.7756],[-1.1911,1.1881],[-1.9055,0.7756]]
[[10,9,1],[9,8,1],[8,6,1],[6,1,1],[1,0,1],[6,7,2],[1,2,2],[2,3,1],[3,4,1],[4,5,2]]
CCC1=NNC(CC)=C1CC1=C(C(=O)N2C[C@H](O)CO2)C2=C(S1)N(CC(C)C)C(=O)N(C)C2=O
CCC1=NNC(CC)=C1CC1=C(C(=O)N2C[C@H](O)CO2)C2=C(S1)N(CC(C)C)C(=O)N(C)C2=O
[[3.355,-0.2125],[2.53,-0.2125],[2.1175,-0.9269],[2.3725,-1.7115],[1.705,-2.1965],[1.0376,-1.7115],[0.3231,-2.124],[0.1096,-2.9209],[1.2925,-0.9269],[0.88,-0.2125],[0.0579,-0.2134],[-0.427,0.454],[-0.0145,1.1685],[-0.427,1.883],[0.7,1.581],[0.9397,2.3704],[1.7645,2.3864],[2.177,3.1009],[2.0346,1.6069],[1.3767,1.1091],[...
[[30,28,1],[28,23,1],[23,21,1],[21,20,2],[20,32,1],[32,30,1],[21,22,1],[22,10,1],[10,11,2],[11,20,1],[23,24,1],[24,25,1],[32,33,2],[30,31,1],[28,29,2],[11,12,1],[12,13,2],[16,15,1],[15,14,1],[14,19,1],[19,18,1],[18,16,1],[16,17,6],[10,9,1],[9,8,1],[2,8,1],[8,5,2],[5,4,1],[4,3,1],[3,2,2],[5,6,1],[12,14,1],[25,26,1],[25,...
CC(=O)[O-].ONO.[NH4+]
CC(=O)[O-].ONO.[NH4+]
[[0.2409,0.7145],[-0.1716,0.0],[0.2409,-0.7145],[-0.9966,0.0],[1.8216,-0.035],[1.1071,0.3775],[0.3926,-0.035],[-1.8216,0.028]]
[[5,4,1],[5,6,1],[0,1,1],[1,2,2],[1,3,1]]
*C.*C.*C(=N)N.*C(=O)C(C)[V].*CCl=O.CC([V])C=O.CC[V].C[2H]B(O)O.C[2H]C1=C([V])C=NC=N1.[V]C1=C(Br)N=CN=C1
*C.*C.*C(=N)N.*C(=O)C([EtO2C])[V].*CCl=O.[EtO2C]C([V])C=O.[EtO2C]C[V].[E][2H]B(O)O.[E][2H]C1=C([V])C=NC=N1.[V]C1=C(Br)N=CN=C1
[[6.5172,2.591],[5.8024,2.179],[10.1547,-2.9683],[9.4399,-3.3803],[0.972,0.5477],[1.3845,-0.1668],[0.972,-0.8813],[2.2095,-0.1668],[-0.3106,4.3011],[-1.1356,4.3011],[-1.5481,5.0156],[-1.5481,3.5866],[-2.3731,3.5866],[-1.1356,2.8721],[-7.488,3.5866],[-8.7257,3.5877],[-9.4402,4.0002],[-10.1547,3.5877],[-2.1411,-1.1861],[...
[[14,15,1],[16,17,2],[16,15,1],[24,23,1],[25,24,1],[12,11,1],[11,9,1],[9,10,2],[11,13,1],[9,8,1],[45,44,2],[44,42,1],[42,41,2],[41,47,1],[47,46,2],[46,45,1],[42,43,1],[41,40,1],[1,0,1],[18,19,1],[19,20,1],[19,21,1],[21,22,2],[5,4,1],[6,5,2],[5,7,1],[26,27,1],[27,28,1],[28,29,1],[28,30,1],[38,39,2],[39,33,1],[33,34,2],[...
CCC1=NN(C)C(C(C)=O)=C1
CCC1=NN(C)C(C(C)=O)=C1
[[2.0964,-0.1308],[1.3819,-0.5433],[0.6674,-0.1308],[0.4125,0.6538],[-0.4125,0.6538],[-0.825,1.3683],[-0.6674,-0.1308],[-1.3819,-0.5433],[-2.0964,-0.1308],[-1.3819,-1.3683],[0.0,-0.6157]]
[[3,4,1],[4,6,1],[6,10,2],[10,2,1],[2,3,2],[2,1,1],[1,0,1],[6,7,1],[7,8,1],[7,9,2],[4,5,1]]
C=C1C[C@H](CC=O)O[C@@H](C[C@@H]2CCO[C@H](C3=COC(/C=C/C[C@H]4O[C@@H](/C(C)=C/I)[C@H](C)C[C@H]4C)=N3)O2)C1.C=C1C[C@H](CC=O)O[C@@H](C[C@@H]2CCO[C@H](C3=COC(/C=C/C[C@H]4O[C@@H](/C(C)=C/I)[C@H](C)[C@@H](OC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F)[C@H]4C)=N3)O2)C1
C=C1C[C@H](CC=O)O[C@@H](C[C@@H]2CCO[C@H](C3=COC(/C=C/C[C@H]4O[C@@H](/C(C)=C/I)[C@H](C)C[C@H]4C)=N3)O2)C1.C=C1C[C@H](CC=O)O[C@@H](C[C@@H]2CCO[C@H](C3=COC(/C=C/C[C@H]4O[C@@H](/C(C)=C/I)[C@H](C)[C@@H](OC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F)[C@H]4C)=N3)O2)C1
[[4.7302,-0.1316],[4.0157,0.2809],[3.3012,-0.1316],[2.5867,0.2809],[1.8723,-0.1316],[1.8723,-0.9566],[2.5867,-1.3691],[2.5867,1.1059],[3.3012,1.5184],[3.3012,2.3434],[2.8887,3.0578],[3.3012,3.7723],[2.8887,4.4868],[2.0637,4.4868],[1.6512,3.7723],[0.8262,3.7723],[0.3413,4.4397],[-0.4433,4.1848],[-0.4433,3.3598],[-1.1578...
[[25,24,1],[27,25,2],[25,26,1],[24,29,1],[29,31,1],[31,32,1],[32,22,1],[22,23,6],[24,23,6],[29,30,5],[32,33,6],[22,21,1],[21,20,1],[20,19,2],[19,18,1],[17,18,1],[18,34,2],[34,15,1],[15,16,2],[16,17,1],[15,14,1],[14,35,5],[10,35,5],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[10,9,1],[9,8,1],[8,7,5],[3,7,6],[3,2,1],[2,1,1],...
NC(=O)[C@H]1[C@H](C(=O)NC2=NC=C(Cl)C=C2)[C@@H]1C(=O)NC1=C(F)C=C(N2C=CC=CC2=O)C=C1
NC(=O)[C@H]1[C@H](C(=O)NC2=NC=C(Cl)C=C2)[C@@H]1C(=O)NC1=C(F)C=C(N2C=CC=CC2=O)C=C1
[[0.0,2.4197],[0.7145,2.0072],[1.4289,2.4197],[0.7145,1.1822],[1.127,0.4678],[1.8414,0.0553],[1.8414,-0.7697],[2.5559,0.4678],[3.2704,0.0553],[3.2704,-0.7697],[3.9849,-1.1822],[4.6993,-0.7697],[5.4138,-1.1822],[4.6993,0.0553],[3.9849,0.4678],[0.302,0.4678],[-0.4125,0.0553],[-0.4125,-0.7697],[-1.127,0.4678],[-1.8414,0.0...
[[15,4,1],[4,3,1],[3,15,1],[4,5,6],[15,16,6],[5,7,1],[5,6,2],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[11,13,1],[13,14,2],[14,8,1],[11,12,1],[3,1,5],[16,17,2],[16,18,1],[18,19,1],[19,20,2],[20,22,1],[22,23,2],[23,31,1],[31,32,2],[32,19,1],[23,24,1],[24,29,1],[29,28,1],[28,27,2],[27,26,1],[26,25,2],[25,24,1],[29,30,2],[20,21,...
CC=C1Sc2ccccc2N1C.CN1CCCC1.COC
CC=C1Sc2ccccc2N1[R1].CN1CCCC1.CO[R1,]
[[0.662,-0.5399],[2.1643,-0.5399],[4.1221,-0.5399],[5.0704,-1.784],[6.5211,-1.3944],[7.8169,-2.1408],[9.108,-1.3944],[9.108,0.1033],[7.8169,0.8404],[6.5211,0.1033],[5.0704,0.6385],[5.0704,2.1408],[-9.108,-0.5399],[-7.6056,-0.5399],[-7.6056,-2.0423],[-6.1033,-2.0423],[-6.1033,0.9624],[-7.6056,0.9624],[-3.8498,-0.5399],[...
[[12,13,1],[13,17,1],[13,14,1],[14,15,1],[17,16,1],[15,16,1],[18,19,1],[19,20,1],[0,1,1],[3,4,1],[4,9,4],[9,10,1],[10,2,1],[3,2,1],[1,2,2],[4,5,4],[5,6,4],[6,7,4],[7,8,4],[9,8,4],[10,11,1]]
C[C@H]1CN2CCN(CC3=NC4=C(C=CC=C4)C=C3)C[C@H]2C[C@@]1(C)C1=CC(O)=CC=C1
C[C@H]1CN2CCN(CC3=NC4=C(C=CC=C4)C=C3)C[C@H]2C[C@@]1(C)C1=CC(O)=CC=C1
[[3.2151,0.2062],[2.5006,-0.2062],[2.5006,-1.0313],[1.7862,-1.4437],[1.7862,-2.2687],[1.0717,-2.6812],[0.3572,-2.2687],[-0.3572,-2.6812],[-1.0717,-2.2687],[-1.0717,-1.4437],[-1.7862,-1.0313],[-2.5006,-1.4437],[-3.2151,-1.0313],[-3.2151,-0.2062],[-2.5006,0.2062],[-1.7862,-0.2062],[-2.5006,-2.2687],[-1.7862,-2.6812],[0.3...
[[28,29,2],[29,23,1],[23,24,2],[24,25,1],[25,27,2],[27,28,1],[25,26,1],[23,21,5],[21,20,1],[20,19,1],[19,3,1],[3,2,1],[2,1,1],[1,21,1],[19,18,5],[18,6,1],[6,5,1],[5,4,1],[4,3,1],[1,0,5],[21,22,6],[6,7,1],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[11,16,1],[16,17,2],[17,8,1],[10,15,1],[15,14,2],[14,13,1],[13,12,2],[12,11,1]]
CC.CC.[17*]C1=CC=C(NC(C)C)C=C1.[17*]C1=CC=CC(NC(C)C)=C1
C[(R4)m].C[(R4)m].[17*]C1=CC=C(NC(C)C)C=C1.[17*]C1=CC=CC(NC(C)C)=C1
[[3.6804,0.5404],[4.2191,1.4672],[-2.1398,0.5404],[-1.6011,1.4672],[4.9025,-0.6422],[4.188,-0.2297],[3.4735,-0.6422],[2.7591,-0.2297],[2.7591,0.5953],[2.0446,1.0078],[1.3301,0.5953],[0.9176,1.3097],[1.7426,-0.1192],[3.4738,1.0083],[4.188,0.5953],[-2.3466,-1.4672],[-2.3466,-0.6422],[-1.6321,-0.2297],[-1.6321,0.5953],[-2...
[[8,7,2],[7,6,1],[6,5,2],[5,14,1],[14,13,2],[13,8,1],[8,9,1],[9,10,1],[10,11,6],[10,12,6],[5,4,1],[0,1,1],[20,25,2],[25,16,1],[16,17,2],[17,18,1],[18,19,2],[19,20,1],[20,21,1],[21,22,1],[22,23,6],[22,24,6],[16,15,1],[2,3,1]]
CCN(CC)C1=CC2=C(C=C1)C=C(C=C1CCC(=CC3=CC4C=CC(N(CC)CC)=CC4O3)C1=O)O2.O=C1C(=CC2=CC3=C(C2)C2=C4C(=C3)CCCN4CCC2)CCC1=CC1=CC2C=C3CCCN4CCCC(=C34)C2O1
CCN(CC)C1=CC2=C(C=C1)C=C(C=C1CCC(=CC3=CC4C=CC(N(CC)CC)=CC4O3)C1=O)O2.O=C1C(=CC2=CC3=C(C2)C2=C4C(=C3)CCCN4CCC2)CCC1=CC1=CC2C=C3CCCN4CCCC(=C34)C2O1
[[7.1026,-4.1589],[6.2776,-4.1589],[5.8651,-3.4444],[5.0401,-3.4444],[4.6276,-4.1589],[5.7141,-2.8809],[4.9996,-3.2934],[4.2851,-2.8809],[4.2851,-2.0559],[4.9996,-1.6434],[5.7141,-2.0559],[3.5005,-1.801],[3.0156,-2.4684],[1.707,-2.4684],[0.882,-2.4684],[0.6271,-3.253],[-0.1979,-3.253],[-0.4528,-2.4684],[-1.6067,-2.4684...
[[66,67,1],[67,68,1],[68,73,1],[73,64,1],[64,65,1],[65,66,1],[68,69,1],[69,70,1],[70,71,1],[71,72,1],[72,73,2],[72,74,1],[74,62,1],[62,63,1],[63,64,2],[74,75,1],[75,60,1],[60,61,2],[61,62,1],[60,59,1],[59,58,2],[57,56,1],[56,38,1],[38,37,1],[37,58,1],[58,57,1],[37,36,2],[38,39,2],[39,40,1],[40,44,1],[44,43,1],[43,42,2]...
[1*]C1([H])C(=C(C)C)N=C(C(C)C)C1([2*])[H]
[1*]C1([H])C(=C(C)C)N=C(C(C)C)C1([2*])[H]
[[-0.9558,1.127],[-0.5433,0.4125],[-1.3683,0.4125],[0.2413,0.6674],[0.6538,1.3819],[-0.0606,1.7944],[1.3683,0.9694],[0.7262,-0.0],[0.2413,-0.6674],[0.6538,-1.3819],[1.3683,-0.9694],[-0.0606,-1.7944],[-0.5433,-0.4125],[-0.9558,-1.127],[-1.3683,-0.4125]]
[[1,12,1],[12,8,1],[8,7,2],[7,3,1],[3,1,1],[3,4,2],[4,5,1],[4,6,1],[8,9,1],[9,10,1],[9,11,1],[1,0,1],[1,2,1],[12,14,1],[12,13,1]]
CCOC(=O)C1=C(C(C)(C)C)C=CC=C1C
CCOC(=O)C1=C(C(C)(C)C)C=CC=C1C
[[2.0201,-0.6187],[1.3056,-1.0312],[0.5911,-0.6187],[0.2339,0.0],[0.2339,0.825],[-0.4806,-0.4125],[-1.1951,0.0],[-1.1951,0.825],[-1.1951,1.65],[-0.3701,0.825],[-2.0201,0.825],[-1.9095,-0.4125],[-1.9095,-1.2375],[-1.1951,-1.65],[-0.4806,-1.2375],[0.2339,-1.65]]
[[11,12,2],[12,13,1],[13,14,2],[14,5,1],[5,6,2],[6,11,1],[6,7,1],[7,8,1],[14,15,1],[5,3,1],[3,4,2],[7,9,1],[7,10,1],[3,2,1],[2,1,1],[1,0,1]]
[3*]C([4*])([Y])C([5*])([6*])[Si]([7*])(C)O[SiH]([8*])C
[3*][C1]([4*])([Y])C([5*])([6*])[Si]([7*])([Zd])O[SiH]([8*])[Zc]
[[-2.1942,0.825],[-2.1942,0.0],[-2.1942,-0.825],[-2.8549,0.0],[-1.1275,0.0],[-1.1275,0.825],[-1.1275,-0.825],[0.3066,0.0],[0.3259,0.825],[0.3259,-0.825],[1.0522,0.0],[1.9739,0.0],[1.9739,0.825],[2.8549,0.0]]
[[3,1,1],[1,4,1],[4,7,1],[7,10,1],[10,11,1],[11,13,1],[1,0,1],[1,2,1],[4,5,1],[4,6,1],[7,8,1],[7,9,1],[11,12,1]]
CC(C)C1=CC=C(COC2=C(C3=CSC(N(CCC4CCCCC4)C4=CC=C(C(=O)O)C=C4)=N3)C=C(Cl)C=C2)C=C1
CC(C)C1=CC=C(COC2=C(C3=CSC(N(CCC4CCCCC4)C4=CC=C(C(=O)O)C=C4)=N3)C=C(Cl)C=C2)C=C1
[[1.5407,-5.1266],[1.1282,-4.4122],[0.3032,-4.4122],[1.5407,-3.6977],[1.1282,-2.9832],[1.5407,-2.2687],[2.3657,-2.2687],[2.7782,-1.5543],[2.3657,-0.8398],[2.7782,-0.1253],[2.3657,0.5891],[1.5407,0.5891],[1.0558,-0.0783],[0.2711,0.1766],[0.2711,1.0016],[-0.4433,1.4141],[-0.4433,2.2391],[-1.1578,2.6516],[-1.1578,3.4766],...
[[14,13,1],[13,12,1],[12,11,2],[11,33,1],[33,14,2],[11,10,1],[10,9,2],[9,38,1],[38,37,2],[37,35,1],[35,34,2],[34,10,1],[35,36,1],[9,8,1],[25,24,2],[24,15,1],[15,14,1],[7,6,1],[6,5,2],[5,4,1],[4,3,2],[3,40,1],[40,39,2],[39,6,1],[15,16,1],[8,7,1],[16,17,1],[25,26,1],[26,27,2],[27,31,1],[31,32,2],[32,24,1],[27,28,1],[28,2...
[3H][Si]([3H])(O[V])O[Si]([3H])(N)O[V]
[3H][Si]([3H])(O[V])O[Si]([3H])(N)O[V]
[[-1.1298,0.825],[-1.1298,0.0],[-1.1298,-0.825],[-1.9548,0.0],[-2.7798,0.0],[-0.1547,0.0],[0.9797,0.0],[0.9797,0.825],[0.9797,-0.825],[1.9548,0.0],[2.7798,0.0]]
[[3,1,1],[1,5,1],[1,0,1],[1,2,1],[3,4,1],[5,6,1],[6,9,1],[9,10,1],[6,7,1],[6,8,1]]
CC1=NC2=C(C=CC=C2)C(CC2=CC=C(C3(CC(=O)NO)CCCCS3(=O)=O)C=C2)=C1C.[HH]
CC1=NC2=C(C=CC=C2)C(CC2=CC=C(C3(CC(=O)NO)C[NR10]CCS3(=O)=O)C=C2)=C1C.[HH]
[[-3.7507,1.4583],[-3.0362,1.0458],[-3.0362,0.2208],[-2.3218,-0.1917],[-1.6073,0.2208],[-0.8928,-0.1917],[-0.8928,-1.0167],[-1.6073,-1.4292],[-2.3218,-1.0167],[-1.6073,1.0458],[-0.8928,1.4583],[-0.1783,1.0458],[0.5361,1.4583],[1.2506,1.0458],[1.2506,0.2208],[1.9651,-0.1917],[1.9651,0.6333],[2.3218,0.8404],[1.6073,0.427...
[[15,25,1],[25,24,1],[24,23,1],[23,22,1],[22,21,1],[21,15,1],[15,14,1],[15,16,1],[25,26,2],[25,27,2],[14,13,2],[13,12,1],[12,11,2],[11,29,1],[29,28,2],[28,14,1],[11,10,1],[10,9,1],[9,30,2],[30,1,1],[1,2,2],[2,3,1],[3,4,2],[4,9,1],[3,8,1],[8,7,2],[7,6,1],[6,5,2],[5,4,1],[1,0,1],[30,31,1],[16,17,1],[17,18,2],[17,19,1],[1...
[4*]C1=CC2=C(C=C1)C(Cl)(Cl)C1=C(C=C([5*])C=C1)CC2
[4*]C1=CC2=C(C=C1)C(Cl)(Cl)C1=C(C=C([5*])C=C1)CC2
[[-3.1169,-0.5114],[-2.32,-0.2979],[-1.7152,-0.859],[-0.9269,-0.6159],[-0.7433,0.1885],[-1.3481,0.7496],[-2.1364,0.5064],[0.0,0.5464],[-0.4125,1.2609],[0.4125,1.2609],[0.7433,0.1885],[0.9269,-0.6159],[1.7152,-0.859],[2.32,-0.2979],[3.1169,-0.5114],[2.1364,0.5064],[1.3481,0.7496],[0.4125,-1.2609],[-0.4125,-1.2609]]
[[18,17,1],[17,11,1],[11,10,2],[10,7,1],[7,4,1],[4,3,2],[3,18,1],[4,5,1],[5,6,2],[6,1,1],[1,2,2],[2,3,1],[11,12,1],[12,13,2],[13,15,1],[15,16,2],[16,10,1],[7,8,1],[7,9,1],[1,0,1],[13,14,1]]
CCCC.CCCCN(CCCC)CCCC.O=C(O)C#CSON=C(C1=CC=C(O2CC2S(=O)(=O)[O-])C=C1)C(F)(F)F.[HH]
CCCC.CCCCN(CCCC)CCCC.O=C(O)C#CSON=C(C1=CC=C(O2CC2S(=O)(=O)[O-])C=C1)C(F)(F)F.[HH]
[[-3.9886,0.2863],[-3.2742,-0.1262],[-2.5597,0.2863],[-1.8452,-0.1262],[-4.6767,2.8438],[-3.9622,2.4313],[-3.2477,2.8438],[-2.5333,2.4313],[-2.5333,1.6063],[-1.8188,1.1938],[-1.1043,1.6063],[-1.1043,2.4313],[-0.3899,2.8438],[-3.2477,1.1938],[-3.9622,1.6063],[-4.6767,1.1938],[-5.3911,1.6063],[-1.6696,0.0849],[-2.0821,-0...
[[23,24,1],[24,25,2],[25,26,1],[26,27,2],[27,28,1],[28,29,2],[29,37,1],[37,38,2],[38,26,1],[29,30,1],[23,22,1],[22,21,1],[21,20,3],[20,18,1],[18,17,2],[18,19,1],[25,39,1],[39,40,1],[39,41,1],[39,42,1],[30,31,1],[30,32,1],[31,32,1],[32,33,1],[33,34,2],[33,35,2],[33,36,1],[8,7,1],[8,9,1],[8,13,1],[4,5,1],[5,6,1],[6,7,1],...
CN(C[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)(C)C)S(=O)(=O)C(F)(F)F.CNC[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)(C)C
CN(C[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)(C)C)S(=O)(=O)C(F)(F)F.CNC[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)(C)C
[[0.6101,-0.4199],[0.6101,0.4051],[1.3245,0.8176],[2.039,0.4051],[2.8087,0.6113],[3.2212,-0.1031],[2.8087,-0.8176],[4.0462,-0.1031],[4.4587,-0.8176],[5.2837,-0.8176],[5.6962,-0.1031],[6.5212,-0.1031],[6.9337,-0.8176],[6.5212,-1.5321],[5.6962,-1.5321],[2.039,-0.4199],[1.3245,-0.8324],[2.7535,-0.8324],[2.039,-1.2449],[-0...
[[29,41,5],[29,28,1],[41,42,1],[41,43,1],[41,44,1],[28,27,1],[27,26,1],[29,30,1],[30,31,1],[37,38,2],[38,39,1],[39,40,2],[40,35,1],[35,36,2],[37,36,1],[35,34,1],[34,33,1],[33,31,1],[31,32,2],[3,15,5],[3,2,1],[15,16,1],[15,17,1],[15,18,1],[2,1,1],[1,19,1],[19,20,2],[1,0,1],[19,21,2],[19,22,1],[23,22,1],[24,22,1],[25,22,...
CI.CNCCC1=CC(NC2=NNC(C)=N2)=NC(C2=CC=CC=C2C(F)(F)F)=N1
CI.[Cbz]NCCC1=CC(NC2=NNC(C)=N2)=NC(C2=CC=CC=C2C(F)(F)F)=N1
[[0.1689,-3.2793],[-0.6561,-3.2793],[-3.2693,-0.9901],[-2.5548,-1.4026],[-1.8404,-0.9901],[-1.1259,-1.4026],[-0.4114,-0.9901],[-0.4114,-0.1651],[0.3031,0.2474],[0.3031,1.0724],[1.0175,1.4849],[1.8021,1.23],[2.2871,1.8974],[1.8021,2.5649],[2.2146,3.2793],[1.0175,2.3099],[1.0175,-0.1651],[1.0175,-0.9901],[1.732,-1.4026],...
[[1,0,1],[7,6,2],[6,28,1],[28,17,2],[17,16,1],[16,8,2],[8,7,1],[17,18,1],[8,9,1],[9,10,1],[15,10,1],[10,11,2],[11,12,1],[12,13,1],[13,15,2],[18,19,2],[19,20,1],[20,21,2],[21,22,1],[22,23,2],[23,18,1],[13,14,1],[6,5,1],[4,5,1],[3,4,1],[2,3,1],[23,24,1],[24,25,1],[24,26,1],[24,27,1]]
CCCOCNC.[5*]CN1C=CC2=CC=CC=C21
[NR3R4][A2][A1]OCNC.[5*]CN1C=CC2=CC=CC=C21
[[1.9722,1.1722],[1.1472,1.1722],[0.3222,1.1722],[-1.832,2.1195],[-1.1176,1.707],[-0.4031,2.1195],[-1.2723,0.1265],[0.9558,-2.1195],[0.2413,-1.707],[0.2413,-0.882],[0.7262,-0.2145],[0.2413,0.4529],[-0.5433,0.198],[-1.2578,0.6105],[-1.9722,0.198],[-1.9722,-0.627],[-1.2578,-1.0395],[-0.5433,-0.627]]
[[14,15,2],[15,16,1],[16,17,2],[17,12,1],[12,13,2],[13,14,1],[17,9,1],[9,10,1],[10,11,2],[11,12,1],[9,8,1],[8,7,1],[2,1,1],[1,0,1],[2,3,1],[6,5,1],[5,4,1],[4,3,1]]
CC[C@H]1CN(CC)CN(C2=C(C=O)C=C([N+](=O)[O-])C=C2)C1
CC[C@H]1CN(CC)CN(C2=C(C=O)C=C([N+](=O)[O-])C=C2)C1
[[3.2151,0.0],[2.5006,0.4125],[1.7862,0.0],[1.7862,-0.825],[1.0717,-1.2375],[1.0717,-2.0625],[0.3572,-2.475],[0.3572,-0.825],[0.3572,0.0],[-0.3572,0.4125],[-0.3572,1.2375],[0.3572,1.65],[1.0717,1.2375],[-1.0717,1.65],[-1.7862,1.2375],[-2.5006,1.65],[-2.5006,2.475],[-3.2151,1.2375],[-1.7862,0.4125],[-1.0717,0.0],[1.0717...
[[8,7,1],[7,4,1],[4,3,1],[3,2,1],[2,20,1],[20,8,1],[8,9,1],[2,1,5],[1,0,1],[4,5,5],[5,6,1],[9,10,2],[10,13,1],[13,14,2],[14,18,1],[18,19,2],[19,9,1],[10,11,1],[11,12,2],[14,15,1],[15,16,2],[15,17,1]]
CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)cnc3OC(C)(C)[C@H]2O)cc1.[HH]
CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)cnc3OC(C)(C)[C@H]2O)cc1.[HH]
[[5.243,1.5223],[4.5286,1.9348],[3.8141,1.5223],[3.8141,0.6973],[3.0996,0.2848],[2.3851,0.6973],[1.6707,0.2848],[2.3851,-0.1277],[1.6707,1.1098],[0.9562,-0.1277],[0.9562,-0.9527],[0.2417,-1.3652],[-0.4727,-0.9527],[-1.1872,-1.3652],[-1.9017,-0.9527],[-1.9017,-0.1277],[-2.6162,-1.3652],[-3.1011,-2.0327],[-3.8857,-1.7777...
[[16,14,1],[14,13,1],[14,15,2],[13,31,4],[31,32,4],[32,33,4],[33,11,4],[11,12,4],[12,13,4],[33,34,1],[34,35,1],[35,38,1],[38,10,1],[10,11,1],[10,9,5],[38,39,6],[35,36,1],[9,6,1],[6,7,2],[6,8,2],[6,5,1],[5,4,4],[4,3,4],[3,2,4],[2,41,4],[41,40,4],[40,5,4],[2,1,1],[1,0,1],[35,37,1],[19,18,1],[18,17,1],[17,16,1],[16,20,1],...
OCCNC1=NC(NCCO)=NC(NC2=CC3=CC(SOOO)=C(/N=N/C4=CC=C5C=C(SOOO)C=CC5=C4)C(O)=C3C=C2)=N1
OCCNC1=NC(NCCO)=NC(NC2=CC3=CC(SOOO)=C(/N=N/C4=CC=C5C=C(SOOO)C=CC5=C4)C(O)=C3C=C2)=N1
[[7.5019,-1.4437],[6.7875,-1.8563],[6.073,-1.4437],[5.3585,-1.8563],[4.6441,-1.4437],[4.6441,-0.6187],[3.9296,-0.2062],[3.9296,0.6187],[4.6441,1.0313],[5.3585,0.6187],[6.073,1.0313],[3.2151,-0.6187],[3.2151,-1.4437],[2.5006,-1.8563],[1.7862,-1.4437],[1.0717,-1.8563],[0.3572,-1.4437],[-0.3572,-1.8563],[-1.0717,-1.4437],...
[[23,18,2],[18,17,1],[17,16,2],[16,42,1],[42,40,2],[40,23,1],[16,15,1],[24,23,1],[25,24,2],[26,25,1],[39,26,1],[26,27,2],[27,28,1],[28,29,2],[29,38,1],[38,39,2],[29,30,1],[30,31,2],[31,36,1],[36,37,2],[37,38,1],[13,12,1],[12,45,2],[45,4,1],[4,5,2],[5,6,1],[6,11,2],[11,12,1],[6,7,1],[7,8,1],[8,9,1],[9,10,1],[4,3,1],[3,2...
O=C(O)CCCCN(CCC1=C(COC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=CC=C1)CC1=CC=C(C(=O)O)C=C1
O=C(O)CCCCN(CCC1=C(COC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=CC=C1)CC1=CC=C(C(=O)O)C=C1
[[-2.1434,-1.0313],[-1.4289,-0.6188],[-0.7145,-1.0313],[-1.4289,0.2062],[-0.7145,0.6187],[-0.7145,1.4437],[0.0,1.8562],[0.0,2.6812],[-0.7145,3.0937],[-1.4289,2.6812],[-2.1434,3.0937],[-2.8579,2.6812],[-2.8579,1.8562],[-3.5724,1.4437],[-3.5724,0.6187],[-4.2868,0.2062],[-4.2868,-0.6188],[-3.5724,-1.0313],[-3.5724,-1.8563...
[[19,20,1],[20,21,2],[21,23,1],[23,24,2],[24,18,1],[18,19,2],[18,17,1],[17,25,1],[25,26,2],[26,14,1],[14,15,2],[15,16,1],[16,17,2],[14,13,1],[13,12,1],[12,11,1],[11,10,2],[10,30,1],[30,29,2],[29,28,1],[28,27,2],[27,11,1],[10,9,1],[9,8,1],[8,7,1],[7,6,1],[7,31,1],[21,22,1],[31,32,1],[6,5,1],[5,4,1],[4,3,1],[3,1,1],[1,0,...
CN1N=NC=C1C(=O)N1CCC2=CC=C(N3CCCCCC3=O)C=C21
[G]N1N=NC=C1C(=O)N1CCC2=CC=C(N3CCCCCC3=O)C=C21
[[-2.1505,-1.222],[-2.1505,-0.614],[-2.6424,-0.2566],[-2.4545,0.3217],[-1.8464,0.3217],[-1.6586,-0.2566],[-1.132,-0.5606],[-0.9746,-1.1479],[-0.828,-0.034],[-1.1854,0.4579],[-0.828,0.9498],[-0.2497,0.7619],[0.2769,1.0659],[0.8034,0.7619],[0.8034,0.1539],[1.4114,0.1539],[1.2761,0.7466],[1.6552,1.222],[2.2633,1.222],[2.6...
[[15,14,1],[14,13,2],[13,12,1],[12,11,2],[11,24,1],[24,23,2],[23,14,1],[11,10,1],[10,9,1],[9,8,1],[8,24,1],[8,6,1],[6,5,1],[4,3,1],[3,2,2],[2,1,1],[1,5,1],[5,4,2],[6,7,2],[1,0,1],[18,17,1],[17,16,1],[16,15,1],[15,21,1],[21,20,1],[20,19,1],[19,18,1],[21,22,2]]
O=C1C2=CC3=CC=CC=C3C=C2C2=NC3CCCC3N=C12
O=C1C2=CC3=CC=CC=C3C=C2C2=N[z]3[v][w.][x][y]3N=C12
[[0.0828,-1.2375],[0.0828,-0.4125],[-0.6288,0.0],[-1.3402,-0.4125],[-2.0544,0.0],[-2.7689,-0.4125],[-3.4833,0.0],[-3.4833,0.825],[-2.7689,1.2375],[-2.0544,0.825],[-1.3402,1.2375],[-0.6288,0.825],[0.7944,0.825],[1.5087,1.2375],[2.2201,0.825],[3.004,1.0776],[3.4833,0.4151],[3.004,-0.2526],[2.2201,0.0],[1.5087,-0.4125],[0...
[[9,4,1],[4,3,1],[9,10,1],[2,11,1],[12,20,1],[20,1,1],[2,1,1],[11,12,1],[3,2,2],[10,11,2],[20,19,2],[19,18,1],[18,14,1],[14,13,1],[12,13,2],[18,17,1],[17,16,1],[16,15,1],[14,15,1],[1,0,2],[9,8,2],[8,7,1],[7,6,2],[6,5,1],[5,4,2]]
*.*I.*[V]I.C.CC(C)C(=O)NC1CC2CCC(C1)N2C.CC1=NN=C(C(C)C)N1C1CC2CCC(C1)N2C.CN1C2CCC1CC(=NO)C2.CN1C2CCC1CC(=O)C2.CN1C2CCC1CC(N)C2.I[V](I)I
*.*I.[0][V]I.[Scheme].CC(C)C(=O)NC1CC2CCC(C1)N2[P1].CC1=NN=C(C(C)C)N1C1CC2CCC(C1)N2[P1].[P1]N1C2CCC1CC(=NO)C2.[P1]N1C2CCC1CC(=O)C2.[P1]N1C2CCC1CC(N)C2.I[V](I)I
[[-9.1455,-2.7746],[-8.3944,3.554],[-9.8967,3.554],[-10.446,-8.0188],[-9.1455,-7.2676],[-7.8451,-8.0188],[-0.1878,9.3521],[10.6479,0.5681],[9.3521,1.3239],[9.3521,2.8169],[8.047,0.5681],[8.047,-0.9296],[6.7465,1.3239],[5.446,0.5681],[4.1502,1.3239],[2.8498,0.5681],[3.9624,0.1455],[4.4084,-0.5916],[4.1502,-1.6808],[5.44...
[[52,56,1],[56,57,1],[57,58,1],[58,60,1],[60,53,1],[52,53,1],[53,54,1],[56,55,1],[54,55,1],[58,59,2],[52,51,1],[72,71,1],[72,73,1],[72,74,1],[41,45,1],[45,46,1],[46,47,1],[47,50,1],[50,42,1],[41,42,1],[42,43,1],[45,44,1],[43,44,1],[47,48,2],[41,40,1],[48,49,1],[2,1,1],[62,66,1],[66,67,1],[67,68,1],[68,70,1],[70,63,1],[...
[CH2-][C+]1=C2OCCCC2=CC(F)=C1
[CH2-][C+]1=C2OCCCC2=CC(F)=C1
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CC.[2*]N(C1=CN=C(N(CC)CC)N=C1N[C@@H](CC1=CC=C(OC(=O)N(C)C)C=C1)C(=O)O)S(=O)(=O)C1=CC=C(C)C=C1
C[(X)n].[2*]N(C1=CN=C(N(CC)CC)N=C1N[C@@H](CC1=CC=C(OC(=O)N(C)C)C=C1)C(=O)O)S(=O)(=O)C1=CC=C([X])C=C1
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CCCCOC1=CC=C(CN2CCC(N3CCC(C4(C5=CC=C(S(=O)(=O)C6=CC7=C(C=C6)OCO7)C=C5)OCCO4)CC3)CC2)C=C1
CCCCOC1=CC=C(CN2CCC(N3CCC(C4(C5=CC=C(S(=O)(=O)C6=CC7=C(C=C6)OCO7)C=C5)OCCO4)CC3)CC2)C=C1
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CC(=O)[O-].CCCCC(C)C(O)C(O)CC(C)CC(O)CCCCC(O)CC=O
CC(=O)[O-].CCCCC(C)C(O)C(O)CC(C)CC(O)CCCCC(O)CC=O
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CCC[C@H](NC(=O)CN(CCNC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O
CCC[C@H](NC(=O)CN(CCNC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O
[[5.0714,-1.2375],[5.0714,-0.4125],[4.3569,0.0],[4.3569,0.825],[3.6424,1.2375],[2.928,0.825],[2.928,0.0],[2.2135,1.2375],[1.499,0.825],[1.499,0.0],[2.2135,-0.4125],[2.2135,-1.2375],[1.499,-1.65],[0.7845,-1.2375],[1.499,-2.475],[0.7845,-2.8875],[0.7845,-3.7125],[1.499,-4.125],[2.2135,-3.7125],[2.928,-4.125],[3.6424,-3.7...
[[53,52,1],[53,54,1],[53,55,2],[46,52,1],[44,46,1],[44,43,1],[44,45,2],[46,47,5],[47,48,1],[48,49,1],[49,50,2],[49,51,1],[37,43,1],[35,37,1],[35,36,2],[35,34,1],[33,34,1],[31,33,1],[31,32,2],[31,30,1],[33,56,5],[56,57,1],[56,58,1],[29,30,1],[27,29,1],[29,59,6],[59,60,1],[59,61,1],[37,38,6],[38,39,1],[39,40,1],[40,41,2]...
*.B.C1CCOC1.CB(O)N1CCN(C(C2=CC=C(C(F)(F)F)C=C2)C2CC2)[C@@H](C)C1.CB(O)N1CCN(C(C2=CC=C(C(F)(F)F)C=C2)C2CC2)[C@@H](C)C1.FC(F)(F)C1=CC=C([Mg]Cl)C=C1.[C-]#[N+]C(C1CC1)N1CCN(B(C)O)C[C@@H]1C
*.[0].C1CCOC1.CB(O)N1CCN(C(C2=CC=C(C(F)(F)F)C=C2)C2CC2)[C@@H](C)C1.CB(O)N1CCN(C(C2=CC=C(C(F)(F)F)C=C2)C2CC2)[C@@H](C)C1.FC(F)(F)C1=CC=C([Mg]Cl)C=C1.[C-]#[N+]C(C1CC1)N1CCN(B(C)O)C[C@@H]1C
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C=C(C)C(=O)OCC(COCC[Si](C)(CC[Si](C)(C)CC[Si](OC)(OC)OC)C1=CC=CC=C1)OC(=O)C(=C)C
C=C(C)C(=O)OCC(COCC[Si](C)(CC[Si](C)(C)CC[Si](OC)(OC)OC)C1=CC=CC=C1)OC(=O)C(=C)C
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NC1=NC2=C(N=CN2COCCOC[Y])C(=O)N1
NC1=NC2=C(N=CN2COCCO[X][Y])C(=O)N1
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CCCC[O-]C(=O)C1=CC2=C(C=C1)C=C(O)C(C1=NC3=C(C=CC4=C3C=CC=C4)O1)=C2
CCCC[O-]C(=O)C1=CC2=C(C=C1)C=C(O)C(C1=NC3=C(C=CC4=C3C=CC=C4)O1)=C2
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C/C(=C\C1=CC2=C(/C=C\C3=CC=CC=C32)O1)C1=NN=C(C(Cl)(Cl)Cl)O1.COC1=CC2=C(C=C1OC)OC(/C=C/C1=NN=C(C)O1)=C2
C/C(=C\C1=CC2=C(/C=C\C3=CC=CC=C32)O1)C1=NN=C(C(Cl)(Cl)Cl)O1.COC1=CC2=C(C=C1OC)OC(/C=C/C1=NN=C(C)O1)=C2
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*C.CC.[2*]C.[3*]C1(C)C2([5*])C(=C)N([4*])C(=O)C12[8*].[Ar]
*C.C[(X)n].[2*]C.[3*]C1(C)C2([5*])C(=[O;])N([4*])C(=O)C12[8*].[Ar]
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[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)C(=O)CCOC
[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)C(=O)CCOC
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CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)NC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)NC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN
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C[C@H]1CN(/C(=N\[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N([C@H](C)CC2=CC=C(Cl)C=C2)C=N3)CCN1
C[C@H]1CN(/C(=N\[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N([C@H](C)CC2=CC=C(Cl)C=C2)C=N3)CCN1
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CC.CC.CC.CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C)C=C2)C=C1
C[(R45)kk].C[(R46)mm].C[(R47)nn].CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C)C=C2)C=C1
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[[6,7,1],[7,8,2],[8,9,1],[9,10,2],[10,25,1],[25,26,2],[26,7,1],[10,11,1],[11,18,1],[18,19,2],[19,20,1],[20,21,2],[21,23,1],[23,24,2],[24,18,1],[21,22,1],[11,12,1],[12,13,2],[13,14,1],[14,15,2],[15,16,1],[16,17,2],[17,12,1],[0,1,1],[2,3,1],[4,5,1]]
C.CC.FC1=C(F)C(F)=C(CO[C@@H]2CNCC[C@@]2(OCC2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1.OCC(O)CN1CC[C@@](OCC2=CC=CC=C2)(C2=CC=C(Cl)C=C2)[C@H](OCC2=C(F)C(F)=C(F)C=C2)C1.P
[i)].[BEMP]C.FC1=C(F)C(F)=C(CO[C@@H]2CNCC[C@@]2(OCC2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1.OCC(O)CN1CC[C@@](OCC2=CC=CC=C2)(C2=CC=C(Cl)C=C2)[C@H](OCC2=C(F)C(F)=C(F)C=C2)C1.P
[[1.7813,4.8902],[3.4748,4.8485],[2.6498,4.8485],[0.241,4.8275],[-0.4735,4.415],[-0.4735,3.59],[0.2408,3.1773],[-1.1882,3.1781],[-1.1884,2.3531],[-1.9024,3.59],[-2.6169,3.1775],[-3.3314,3.59],[-4.0458,3.1775],[-4.0458,2.3525],[-4.7603,1.94],[-5.4748,2.3525],[-5.4748,3.1775],[-4.7603,3.59],[-4.3478,4.3045],[-3.5228,4.30...
[[57,58,2],[58,52,1],[52,53,2],[53,54,1],[54,55,2],[55,57,1],[55,56,1],[52,43,1],[43,42,1],[42,41,1],[41,40,1],[40,71,1],[71,59,1],[59,43,1],[44,45,1],[45,46,1],[46,47,2],[47,48,1],[48,49,2],[49,50,1],[50,51,2],[51,46,1],[59,60,6],[61,60,1],[61,62,1],[43,44,6],[62,63,2],[63,65,1],[65,67,2],[67,69,1],[69,70,2],[70,62,1]...
*/C([1*])=C(\[2*])C
*/C([1*])=C(\[2*])[A*]
[[-0.825,0.7145],[-0.4125,-0.0],[-0.825,-0.7145],[0.4125,-0.0],[0.825,0.7145],[0.825,-0.7145]]
[[1,3,2],[1,2,1],[1,0,1],[3,4,1],[3,5,1]]
CCOC(=O)C(C)(SC(=S)OCCOC)C(=O)OCC
CCOC(=O)C(C)(SC(=S)OCCOC)C(=O)OCC
[[3.9222,0.1257],[3.2077,0.5382],[2.4933,0.1257],[1.7788,0.5382],[1.7788,1.3632],[1.0547,-0.0387],[0.4681,0.5404],[0.3402,-0.4512],[-0.3743,-0.0387],[-0.3743,0.7863],[-1.0887,-0.4512],[-1.8032,-0.0387],[-2.5177,-0.4512],[-3.2322,-0.0387],[-3.9466,-0.4512],[1.7691,-0.5382],[1.7691,-1.3632],[2.5177,-0.2957],[3.2322,-0.70...
[[13,14,1],[12,13,1],[11,12,1],[10,11,1],[8,10,1],[7,8,1],[7,5,1],[8,9,2],[5,6,1],[5,3,1],[5,15,1],[3,4,2],[15,16,2],[3,2,1],[2,1,1],[1,0,1],[15,17,1],[17,18,1],[18,19,1]]
O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2CC2=C(C=CC(C3=NC=C(C4=C(Cl)C=C(Cl)C=C4)O3)=C2)C1
O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2CC2=C(C=CC(C3=NC=C(C4=C(Cl)C=C(Cl)C=C4)O3)=C2)C1
[[-5.2149,0.2084],[-4.5004,0.6209],[-5.2149,1.0334],[-3.7158,0.8759],[-3.2308,0.2084],[-3.7158,-0.459],[-4.5004,-0.2041],[-4.9129,-0.9185],[-4.5004,-1.633],[-5.2149,-2.0455],[-4.9129,-0.9185],[-3.7859,-1.2205],[-2.8453,-0.5477],[-2.1309,-0.1352],[-2.1309,0.5253],[-2.8453,0.9378],[-2.0485,1.0912],[-1.3847,0.5531],[-1.38...
[[1,6,1],[12,36,1],[36,18,1],[18,17,2],[17,16,1],[16,15,1],[15,4,1],[4,12,1],[15,14,6],[12,13,6],[14,13,1],[18,19,1],[19,20,2],[20,21,1],[21,35,2],[35,17,1],[21,22,1],[22,23,2],[22,34,1],[34,25,1],[25,24,2],[24,23,1],[6,5,1],[4,5,6],[4,3,5],[3,1,1],[6,7,1],[1,0,2],[1,2,2],[25,26,1],[26,27,2],[27,29,1],[29,30,2],[30,32,...
CSC(=N)N/N=C(/C(N)=O)C1=CC(Cl)=CC(Cl)=C1Cl
CSC(=N)N/N=C(/C(N)=O)C1=CC(Cl)=CC(Cl)=C1Cl
[[-2.5006,-1.0313],[-1.7862,-0.6187],[-1.0717,-1.0313],[-1.0717,-1.8563],[-0.3572,-0.6187],[0.3572,-1.0313],[1.0717,-0.6187],[1.7849,-1.4412],[1.0705,-1.8537],[1.7849,-0.6162],[1.0717,0.2062],[0.3572,0.6187],[0.3572,1.4437],[-0.3572,1.8563],[1.0717,1.8563],[1.7862,1.4437],[2.5006,1.8563],[1.7862,0.6187],[2.5006,0.2062]...
[[2,1,1],[4,2,1],[5,4,1],[6,5,2],[2,3,2],[6,10,1],[10,17,1],[17,15,2],[15,14,1],[14,12,2],[12,11,1],[11,10,2],[12,13,1],[15,16,1],[17,18,1],[1,0,1],[6,7,1],[7,9,2],[7,8,1]]
[5*]C[C@H](O)cc[C@H]1[C@H](O)C[C@@H](F)[C@@H]1CCSCCCCO
[5*]C[C@H](O)cc[C@H]1[C@H](O)C[C@@H](F)[C@@H]1CCSCCCCO
[[1.3492,-0.691],[0.6348,-0.2785],[-0.0797,-0.691],[-0.0797,-1.516],[-0.7942,-0.2785],[-1.5086,-0.691],[-2.2231,-0.2785],[-3.0077,-0.5334],[-3.4202,-1.2479],[-3.4927,0.134],[-3.0077,0.8015],[-3.4202,1.516],[-2.2231,0.5465],[-1.5086,0.959],[-0.7942,0.5465],[-0.0797,0.959],[0.6348,0.5465],[1.3492,0.959],[2.0637,0.5465],[...
[[12,6,1],[6,7,1],[7,9,1],[9,10,1],[10,12,1],[7,8,6],[12,13,6],[13,14,1],[14,15,1],[15,16,1],[16,17,1],[17,18,1],[18,19,1],[19,20,1],[6,5,5],[5,4,4],[4,2,1],[2,1,1],[1,0,1],[2,3,6],[10,11,5]]
[2H]C([2H])([2H])C(CC)(C(C)=O)C([2H])([2H])[2H].[2H]C([2H])([2H])[13C](CC)([13C](C)=O)C([2H])([2H])[2H].[H][13C]([H])(CC)C(C)=O.[H][13C]([H])(CC)[13C](C)=O
[2H]C([2H])([2H])C([Q][Z])(C([OX])=O)C([2H])([2H])[2H].[2H]C([2H])([2H])[13C]([Q][Z])([13C]([OX])=O)C([2H])([2H])[2H].[H][13C]([H])([Q][Z])C([OX])=O.[H][13C]([H])([Q][Z])[13C]([OX])=O
[[-3.0584,1.8314],[-2.6459,2.5459],[-2.2334,3.2604],[-1.9314,2.1334],[-1.9314,2.1334],[-1.348,1.55],[-1.348,0.725],[-1.348,2.7168],[-0.7647,2.1334],[-1.348,3.5418],[-2.6459,1.7209],[-3.0584,2.4354],[-2.2334,1.0064],[-3.3603,1.3084],[1.0666,1.9474],[1.4791,2.6619],[1.8916,3.3764],[2.1936,2.2494],[2.1936,2.1334],[2.777,1...
[[41,37,1],[37,39,1],[42,41,1],[41,43,2],[39,40,1],[37,36,6],[37,38,5],[33,29,1],[29,31,1],[34,33,1],[33,35,2],[31,32,1],[29,28,6],[29,30,5],[7,4,1],[4,5,1],[8,7,1],[7,9,2],[5,6,1],[4,1,6],[0,1,1],[2,1,1],[3,1,1],[4,10,5],[11,10,1],[12,10,1],[13,10,1],[21,18,1],[18,19,1],[22,21,1],[21,23,2],[19,20,1],[18,15,6],[14,15,1...
CCCCCCCC(=O)OCC[C@H]1C[C@@H](C)[C@@H](C)C/C=C/CC2=CC=CC(C)=C2C(=O)O1
CCCCCCCC(=O)OCC[C@H]1C[C@@H]([OMOM.])[C@@H](C)C/C=C/CC2=CC=CC([OMe])=C2C(=O)O1
[[-4.0484,1.0371],[-3.2234,1.0371],[-2.8109,1.7515],[-1.9859,1.7515],[-1.5734,1.0371],[-0.7484,1.0371],[-0.3359,1.7515],[0.4891,1.7515],[0.9016,2.466],[0.9016,1.0371],[1.7266,1.0371],[2.1391,0.3226],[1.9256,-0.4743],[2.7506,-0.4743],[3.3339,-1.0577],[4.0484,-0.6452],[3.3339,-1.8827],[4.0484,-2.2952],[2.7506,-2.466],[1....
[[25,24,2],[24,23,1],[23,22,2],[22,28,1],[28,26,2],[26,25,1],[22,21,1],[21,20,1],[31,29,1],[29,28,1],[20,19,2],[19,18,1],[18,16,1],[16,14,1],[14,13,1],[13,12,1],[12,31,5],[29,30,2],[26,27,1],[14,15,5],[16,17,5],[12,11,1],[11,10,1],[10,9,1],[9,7,1],[7,6,1],[7,8,2],[6,5,1],[5,4,1],[4,3,1],[3,2,1],[2,1,1],[1,0,1]]
CC.CC1CCCC2CCCCCCCCCCCCCCCCCCC(CCC(C)CC(C)CCC2)C(C)CCCC(C)C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
CC.CC1CCCC2CCCCCCCCCCCCCCCCCCC(CCC(C)CC(C)CCC2)C(C)CCCC(C)C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
[[-2.2193,0.2648],[-2.7639,0.2648],[0.0011,1.8955],[0.0011,2.092],[-0.8239,2.092],[-1.6489,2.092],[-1.6489,1.267],[-1.6489,0.442],[-0.3405,0.442],[-0.127,1.2389],[0.1059,0.2197],[0.2767,0.4991],[0.4612,-0.2205],[0.5781,0.7795],[0.7844,1.0438],[0.9206,1.6376],[1.0569,0.8837],[1.255,1.1552],[1.4461,-0.4018],[1.6592,1.301...
[[45,46,1],[46,47,1],[48,49,1],[49,50,1],[51,52,1],[52,53,1],[54,55,1],[55,56,1],[5,6,1],[6,7,1],[7,36,1],[36,35,1],[5,4,1],[4,3,1],[3,44,1],[42,41,1],[41,40,1],[44,42,1],[27,26,1],[26,37,1],[37,39,1],[39,40,1],[27,28,1],[28,29,1],[29,31,1],[32,34,1],[34,35,1],[31,32,1],[37,38,1],[32,33,1],[29,30,1],[3,2,1],[42,43,1],[...
B.CC.CC.[2*]C.[3*][2H]CCCC
B.C[(R1)m].C[(R4)n].[2*]C.[3*][2H]CC[E]C
[[-1.3565,-0.2898],[-1.5156,-0.0119],[-2.2043,0.7741],[1.2645,0.7654],[2.2365,1.1908],[-2.2365,-1.1908],[-1.4728,-0.4271],[0.711,-1.1144],[-0.114,-1.1144],[-0.8285,-0.7019],[-0.8285,0.1231],[-0.114,0.5356],[0.9943,0.5356]]
[[9,10,1],[10,11,1],[11,12,1],[9,8,1],[8,7,1],[6,5,1],[1,2,1],[3,4,1]]
CC1=C([Rb])C([Rb])=C([Rb])C2=C1C(C)([Rb])C1=C(C)C3=C([CH-][C+]4N([RaH])C(C)C(C)N34)C([Rb])=C21.[RbH].[RbH].[RbH].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb]
[Rb5]C1=C([Rb])C([Rb])=C([Rb])C2=C1C([Rb7])([Rb])C1=C([Rb6])C3=C([M(X-Y)n][C+]4N([RaH])C([Ra2])C([Ra3])N34)C([Rb])=C21.[RbH].[RbH].[RbH].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb]
[[-2.5995,-2.287],[-1.779,-2.2008],[-1.2941,-2.8683],[-0.5572,-3.4926],[-0.4736,-2.782],[1.2438,-3.4457],[-0.1381,-2.0283],[0.6802,-1.569],[-0.623,-1.3609],[-1.4435,-1.4471],[-1.779,-0.6935],[-2.5759,-0.907],[-0.8375,0.2544],[-1.1659,-0.1414],[-1.1659,0.6836],[-1.8804,1.0961],[-0.4515,1.0961],[0.263,0.6836],[2.5995,1.6...
[[14,13,2],[13,29,1],[29,27,2],[27,17,1],[17,16,2],[16,14,1],[16,26,1],[17,18,1],[20,22,1],[22,24,1],[24,26,1],[26,19,1],[19,20,1],[22,23,1],[24,25,1],[19,18,1],[13,10,1],[10,9,1],[9,8,2],[8,29,1],[9,1,1],[1,2,2],[2,4,1],[4,6,2],[6,8,1],[1,0,1],[10,11,1],[14,15,1],[27,28,1],[2,3,1],[33,34,1],[10,12,1],[35,36,1],[37,38,...
[1*]C1=NC(C(C#N)=C(OB)C2=C(C)N=C(C)N2C)=C([2*])O1
[1*]C1=NC(C(C#N)=C(OB)C2=C([Y1])N=C([Y2])N2[Y3])=C([2*])O1
[[-3.1745,0.9176],[-2.507,0.4327],[-1.7224,0.6876],[-1.2375,0.0202],[-0.4125,0.0202],[-0.4143,0.8478],[0.4107,0.8478],[0.4125,0.0202],[0.4125,-0.8048],[1.2375,-0.8048],[1.2375,0.0202],[1.7224,-0.6472],[1.7224,-1.4722],[2.507,-0.3923],[2.507,0.4327],[3.1745,0.9176],[1.7224,0.6876],[1.4675,1.4722],[-1.7224,-0.6472],[-1.4...
[[1,20,1],[20,18,1],[18,3,2],[3,2,1],[2,1,2],[3,4,1],[4,7,2],[7,10,1],[7,8,1],[8,9,1],[10,11,2],[11,13,1],[13,14,2],[14,16,1],[16,10,1],[18,19,1],[1,0,1],[11,12,1],[14,15,1],[16,17,1],[4,5,1],[5,6,3]]
[H]N(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H](CC1=CC=CC=C1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@H]1C(=O)N([H])C(C)(C)C
[H]N(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H](CC1=CC=CC=C1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@H]1C(=O)N([H])C(C)(C)C
[[-0.9207,-1.127],[-0.9207,-0.302],[-1.6352,0.1105],[-1.6352,0.9355],[-2.3497,-0.302],[-2.3497,-1.127],[-3.0641,0.1105],[-3.7786,-0.302],[-4.4931,0.1105],[-4.1911,-1.0164],[-3.3661,-1.0164],[-0.2063,0.1105],[-0.2063,0.9355],[-0.9207,1.348],[-0.7072,2.1449],[-1.2906,2.7283],[-2.0874,2.5148],[-2.301,1.7179],[-1.7176,1.13...
[[11,1,1],[19,11,1],[1,0,1],[11,12,5],[12,13,1],[21,19,1],[22,21,1],[33,22,1],[19,20,5],[22,23,1],[23,24,1],[24,30,1],[30,32,1],[32,33,1],[24,26,1],[26,27,1],[27,28,1],[28,29,1],[29,30,1],[30,31,5],[24,25,5],[33,34,6],[34,36,1],[34,35,2],[36,37,1],[2,1,1],[4,2,1],[6,4,1],[7,6,1],[7,8,1],[2,3,2],[13,14,2],[14,15,1],[15,...
*C1(*)C2=C(C)C(C)=C(C)C(C)=C2OC(*)(C2=C(C)C(C)=C(C)C(C)=C2C)C1(*)*
*C1(*)C2=C([Z4E])C([Z3E])=C([Z2E])C([Z1E])=C2OC(*)(C2=C([Y2E])C([Z7E])=C([Z6E])C([Z5E])=C2[Y1E])C1(*)*
[[-1.4033,-1.7457],[-0.9908,-1.0312],[-0.5783,-1.7457],[-1.7053,-0.6187],[-2.4197,-1.0312],[-2.8322,-1.7457],[-3.1342,-0.6187],[-3.8487,-1.0312],[-3.1342,0.2063],[-3.8487,0.6188],[-2.4197,0.6188],[-2.4197,1.4438],[-1.7053,0.2063],[-0.9908,0.6188],[-0.2763,0.2063],[-0.2763,1.0313],[1.3737,0.2063],[1.7862,-0.5082],[1.786...
[[8,6,2],[6,4,1],[4,3,2],[3,12,1],[12,10,2],[10,8,1],[3,1,1],[1,27,1],[27,14,1],[14,13,1],[13,12,1],[16,17,2],[17,19,1],[19,21,2],[21,23,1],[23,25,2],[25,16,1],[10,11,1],[8,9,1],[6,7,1],[4,5,1],[1,0,1],[1,2,1],[27,28,1],[27,29,1],[14,15,1],[25,26,1],[23,24,1],[21,22,1],[19,20,1],[17,18,1],[14,16,1]]
CC1=C2CCC(C)(COC3=CC=C(/C=C4\SC(=O)NC4=O)C=C3Br)OC2=C(C)C(C)=C1OC(=O)/C=C/CO
CC1=C2CCC(C)(COC3=CC=C(/C=C4\SC(=O)NC4=O)C=C3Br)OC2=C(C)C(C)=C1OC(=O)/C=C/CO
[[-1.7065,-2.1347],[-1.7065,-1.3097],[-0.992,-0.8972],[-0.2775,-1.3097],[0.4369,-0.8972],[0.4369,-0.0722],[0.4369,0.7528],[1.1514,0.3403],[1.8659,-0.0722],[2.5803,0.3403],[3.2948,-0.0722],[4.0093,0.3403],[4.0093,1.1653],[4.7238,1.5778],[5.4382,1.1653],[5.4382,0.3403],[6.2229,0.0854],[6.6354,-0.6291],[6.7078,0.7528],[6....
[[28,30,2],[30,1,1],[1,2,2],[2,25,1],[25,26,2],[26,28,1],[28,29,1],[26,27,1],[1,0,1],[30,31,1],[2,3,1],[3,4,1],[4,5,1],[5,24,1],[24,25,1],[5,6,1],[5,7,1],[7,8,1],[8,9,1],[9,10,2],[10,11,1],[11,12,2],[12,21,1],[21,22,2],[22,9,1],[31,32,1],[32,34,1],[34,35,2],[35,36,1],[14,13,2],[13,12,1],[22,23,1],[32,33,2],[36,37,1],[1...
CCCCCCCCCCS(=O)(=O)/C=C/C(N)=O
CCCCCCCCCCS(=O)(=O)/C=C/C(N)=O
[[-5.0566,-0.4125],[-4.3421,-0.825],[-3.6276,-0.4125],[-2.9131,-0.825],[-2.1987,-0.4125],[-1.4842,-0.825],[-0.7697,-0.4125],[-0.0553,-0.825],[0.6592,-0.4125],[1.3737,-0.825],[2.0881,-0.4125],[2.0881,0.4125],[2.0881,-1.2375],[2.8026,0.0],[3.6276,0.0],[4.3421,0.4125],[5.0566,0.0],[4.3421,1.2375]]
[[1,0,1],[2,1,1],[3,2,1],[4,3,1],[5,4,1],[6,5,1],[7,6,1],[8,7,1],[9,8,1],[10,9,1],[10,13,1],[13,14,2],[10,11,2],[10,12,2],[14,15,1],[15,17,2],[15,16,1]]
[H]N([H])S(=O)(=O)OC1=C(OS(=O)(=O)N([H])[H])C=C(/C=C(\C#N)C(=O)NC)C=C1
[H]N([H])S(=O)(=O)OC1=C(OS(=O)(=O)N([H])[H])C=C(/C=C(\C#N)C(=O)N[R3])C=C1
[[-6.108,-4.6197],[-5.3568,-3.3192],[-6.108,-2.0188],[-3.8545,-3.3192],[-3.8545,-4.8216],[-2.3521,-3.3192],[-3.8545,-1.8169],[-2.554,-1.0657],[-2.554,0.4319],[-5.0376,1.8122],[-5.0376,3.3286],[-6.5399,3.3286],[-5.0376,4.8169],[-3.5352,3.3286],[-2.7746,4.6432],[-2.7887,2.0423],[-1.2535,1.1831],[0.0423,0.4319],[1.3427,1....
[[1,3,1],[1,0,1],[1,2,1],[3,4,2],[3,5,2],[7,27,1],[27,26,2],[26,17,1],[17,16,2],[16,8,1],[7,8,2],[17,18,1],[18,19,2],[19,22,1],[22,24,1],[19,20,1],[20,21,3],[22,23,2],[7,6,1],[3,6,1],[13,10,1],[13,14,1],[13,15,1],[10,11,2],[10,12,2],[10,9,1],[8,9,1],[24,25,1]]
B.C=CC[C@@](/C=N/C)(C1=CC(Cl)=C(Cl)C=C1)N(C)C(=O)OC(C)(C)C.C=CC[C@@](CNC)(C1=CC(Cl)=C(Cl)C=C1)N(C)C(=O)OC(C)(C)C.CO.[NaH]
B.C=CC[C@@](/C=N/C)(C1=CC(Cl)=C(Cl)C=C1)N(C)C(=O)OC(C)(C)C.C=CC[C@@](CNC)(C1=CC(Cl)=C(Cl)C=C1)N(C)C(=O)OC(C)(C)C.CO.[NaH]
[[-0.8885,3.9721],[-1.332,4.0449],[-2.0465,3.6324],[-2.7609,4.0449],[-3.4754,3.6324],[-4.1899,4.0449],[-4.9043,3.6324],[-5.6188,4.0449],[-3.4754,2.8074],[-2.7609,2.3949],[-2.7609,1.5699],[-2.0465,1.1574],[-3.4754,1.1574],[-3.4754,0.3324],[-4.1899,1.5699],[-4.1899,2.3949],[-3.4754,4.4574],[-4.1899,4.8699],[-3.1182,4.251...
[[39,38,2],[38,36,1],[36,34,2],[34,33,1],[33,32,2],[32,39,1],[28,32,5],[28,29,6],[28,27,1],[27,26,1],[26,25,2],[29,30,1],[30,31,1],[28,40,1],[40,41,1],[36,37,1],[34,35,1],[40,42,1],[44,45,1],[45,46,1],[45,47,1],[45,48,1],[42,43,2],[44,42,1],[49,50,1],[15,14,2],[14,12,1],[12,10,2],[10,9,1],[9,8,2],[8,15,1],[4,8,5],[4,5,...
O=[N+](O)C1=CC2=C(C=C1)CCN(CCCCNS(=O)(=O)C1=CSC=C1)C2
O=[N+](O)C1=CC2=C(C=C1)CCN(CCCCNS(=O)(=O)C1=CSC=C1)C2
[[-5.1278,0.0],[-4.4134,-0.4125],[-4.4134,-1.2375],[-3.6989,0.0],[-2.9844,-0.4125],[-2.27,0.0],[-2.27,0.825],[-2.9844,1.2375],[-3.6989,0.825],[-1.5555,1.2375],[-0.841,0.825],[-0.841,0.0],[-0.1266,-0.4125],[0.5879,0.0],[1.3024,-0.4125],[2.0169,0.0],[2.7313,-0.4125],[3.1438,0.302],[3.5563,1.0164],[2.4294,0.7145],[3.8583,...
[[7,8,2],[8,3,1],[3,4,2],[4,5,1],[5,6,2],[6,7,1],[5,25,1],[25,11,1],[11,10,1],[10,9,1],[9,6,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,16,1],[3,1,1],[1,2,1],[1,0,2],[16,17,1],[17,18,2],[17,19,2],[17,20,1],[20,21,2],[21,22,1],[22,23,1],[23,24,2],[24,20,1]]
NC1CCN(C[Y])C1=O.[1*]S(=O)(=O)[V]
NC1CCN([X][Y])C1=O.[1*]S(=O)(=O)[V]
[[0.9406,3.0562],[0.3572,2.4729],[-1.0717,2.4729],[-1.0717,1.6479],[-0.3572,1.2354],[-0.3572,0.4104],[-0.3572,-0.4146],[0.3572,1.6479],[1.0717,1.2354],[0.2854,-1.6273],[-0.1271,-2.3418],[-0.5396,-3.0562],[0.2854,-3.0562],[-0.9521,-2.3418]]
[[2,3,1],[3,4,1],[4,7,1],[7,1,1],[2,1,1],[4,5,1],[5,6,1],[7,8,2],[1,0,1],[13,10,1],[10,9,1],[10,11,2],[10,12,2]]
CC1CCCC(F)C1.CFF
CC1CCCC(F)C1.CFF
[[1.5056,0.6874],[0.6806,0.6874],[0.2681,1.4019],[-0.5569,1.4019],[-0.9694,0.6874],[-0.5569,-0.027],[-0.9281,-1.4019],[0.2681,-0.027],[-1.5056,0.0831],[-0.7912,0.4956],[-0.0767,0.0831]]
[[2,3,1],[3,4,1],[4,5,1],[5,7,1],[7,1,1],[1,2,1],[1,0,1],[5,6,1],[10,9,1],[9,8,1]]
O=C1C2=CC(O)=C(N=NC3=NN=C(N=NC4=C(O)C=C5C(=O)N6C7=CC=CC=C7N=C6/C6=C/C=C\C4=C56)O3)C3=C2C(=CC=C3)C2=NC3=CC=CC=C3N12
O=C1C2=CC(O)=C(N=NC3=NN=C(N=NC4=C(O)C=C5C(=O)N6C7=CC=CC=C7N=C6/C6=C/C=C\C4=C56)O3)C3=C2C(=CC=C3)C2=NC3=CC=CC=C3N12
[[-6.0044,1.1135],[-5.5919,0.399],[-4.7669,0.399],[-4.3544,1.1135],[-3.5294,1.1135],[-3.1169,1.828],[-3.1169,0.399],[-2.2919,0.399],[-1.4669,0.399],[-0.6419,0.399],[-0.3869,-0.3856],[0.4381,-0.3856],[0.693,0.399],[1.518,0.399],[2.343,0.399],[3.168,0.399],[3.5805,1.1135],[3.168,1.828],[4.4055,1.1135],[4.818,0.399],[5.64...
[[10,11,1],[11,12,2],[12,37,1],[37,9,1],[9,10,2],[12,13,1],[9,8,1],[13,14,2],[8,7,2],[14,15,1],[7,6,1],[15,35,1],[35,36,2],[36,19,1],[19,18,2],[18,16,1],[16,15,2],[35,34,1],[34,33,2],[33,32,1],[32,31,2],[31,36,1],[31,30,1],[30,22,1],[22,20,1],[20,19,1],[6,4,2],[4,3,1],[3,2,2],[2,39,1],[39,38,2],[38,6,1],[39,40,1],[40,4...
CC1=NC=NC(C)=C1C(=O)N1CCC(C)(N2CCN(C(CC3CCN(S(=O)(=O)C4CC4)CC3)C3=CC=CC(F)=C3)[C@@H](C)C2)CC1
CC1=NC=NC(C)=C1C(=O)N1CCC(C)(N2CCN(C(CC3CCN(S(=O)(=O)C4CC4)CC3)C3=CC=CC(F)=C3)[C@@H](C)C2)CC1
[[2.1987,0.151],[2.9131,-0.2615],[3.6276,0.151],[4.3421,-0.2615],[4.3421,-1.0865],[3.6276,-1.499],[3.6276,-2.324],[2.9131,-1.0865],[2.1987,-1.499],[2.1987,-2.324],[1.4842,-1.0865],[0.7697,-1.499],[0.0553,-1.0865],[0.0553,-0.2615],[0.0553,0.5635],[-0.6592,0.151],[-1.3737,-0.2615],[-2.0881,0.151],[-2.0881,0.976],[-2.8026...
[[24,23,1],[23,22,1],[22,21,1],[21,32,1],[32,31,1],[31,24,1],[33,34,2],[34,35,1],[35,36,2],[36,37,1],[37,39,2],[39,33,1],[18,17,1],[17,16,1],[16,15,1],[15,42,1],[42,40,1],[40,18,1],[15,13,1],[13,12,1],[12,11,1],[11,10,1],[10,44,1],[44,43,1],[43,13,1],[40,41,5],[13,14,1],[10,8,1],[8,7,1],[8,9,2],[7,5,2],[5,4,1],[4,3,2],...
O=C(O)/C=C/C=C/C1=CC=CC=C1
O=C(O)/C=C/C=C/C1=CC=CC=C1
[[5.2066,0.0],[3.9061,-0.7512],[3.9061,-2.2535],[2.6056,0.0],[1.3052,-0.7512],[0.0047,0.0],[-1.2958,-0.7512],[-2.5962,0.0],[-2.5962,1.5023],[-3.9014,2.2535],[-5.2066,1.5023],[-5.2066,0.0],[-3.9014,-0.7512]]
[[7,8,2],[8,9,1],[9,10,2],[10,11,1],[11,12,2],[7,12,1],[7,6,1],[6,5,2],[5,4,1],[4,3,2],[3,1,1],[1,0,2],[1,2,1]]
*CC(=O)C1=CC2=C(C=C1)N=NN2O
*[X]C(=O)C1=CC2=C(C=C1)N=NN2O
[[-2.4762,0.0],[-1.6512,0.0],[-0.9367,0.4125],[-0.9367,1.2375],[-0.2223,0.0],[0.4922,0.4125],[1.2067,0.0],[1.2067,-0.825],[0.4922,-1.2375],[-0.2223,-0.825],[1.9913,-1.0799],[2.4762,-0.4125],[1.9913,0.2549],[2.4038,0.9694]]
[[4,9,1],[9,8,2],[8,7,1],[7,6,2],[6,5,1],[5,4,2],[7,10,1],[10,11,2],[11,12,1],[12,6,1],[12,13,1],[4,2,1],[2,1,1],[2,3,2],[1,0,1]]
C1CCNCC1.CC1=C([N+](=O)[O-])C=C(C(F)(F)F)C=C1.NC1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1.O=C(Cl)C1=CC=N(Cl)C=C1.O=C(NC1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1)C1=CC=NC=C1.O=[N+]([O-])C1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1
C1CCNCC1.[X]C1=C([N+](=O)[O-])C=C(C(F)(F)F)C=C1.NC1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1.O=C(Cl)C1=CC=N(Cl)C=C1.O=C(NC1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1)C1=CC=NC=C1.O=[N+]([O-])C1=C(N2CCCCC2)C=CC(C(F)(F)F)=C1
[[-1.548,10.2335],[-2.2625,10.646],[-2.2625,11.471],[-1.548,11.8835],[-0.8335,11.471],[-0.8335,10.646],[-4.6895,8.6448],[-4.6895,9.4698],[-3.975,9.8823],[-3.2605,9.0573],[-3.2605,9.8823],[-3.975,8.6448],[-3.975,10.7073],[-4.6895,11.1198],[-4.6895,11.9448],[-3.8645,11.9448],[-4.6895,11.1198],[-5.5145,11.9448],[-5.404,10...
[[30,29,2],[29,22,1],[22,21,2],[21,36,1],[36,31,2],[31,30,1],[21,20,1],[22,23,1],[23,24,1],[24,25,1],[25,26,1],[26,27,1],[27,28,1],[28,23,1],[31,32,1],[32,33,1],[32,34,1],[32,35,1],[40,41,2],[41,42,1],[45,46,2],[46,40,1],[40,38,1],[38,39,1],[38,37,2],[42,43,2],[45,43,1],[43,44,1],[59,58,2],[58,51,1],[51,50,2],[50,65,1]...
[*+].[3*][b-]1ccc2c(c1)CCCC2
[3].[3*][b-]1ccc2c(c1)CCCC2
[[1.8109,-0.1689],[1.7614,0.825],[1.047,0.4125],[1.047,-0.4125],[0.3325,-0.825],[-0.382,-0.4125],[-0.382,0.4125],[0.3325,0.825],[-1.0964,0.825],[-1.8109,0.4125],[-1.8109,-0.4125],[-1.0964,-0.825]]
[[3,2,4],[2,7,4],[7,6,4],[6,5,4],[5,4,4],[4,3,4],[2,1,1],[6,8,1],[8,9,1],[9,10,1],[10,11,1],[11,5,1]]
CC#CC#CNBrBrBr.ClCCl.[H]N1C2=CC=CC3=C2C(=C1Br)CNC3=O.[H]N1C=C2CNC(=O)C3=C2C1=CC=C3
CC#CC#CNBrBrBr.ClCCl.[H]N1C2=CC=CC3=C2C(=C1Br)CNC3=O.[H]N1C=C2CNC(=O)C3=C2C1=CC=C3
[[-3.639,4.7542],[-2.814,4.7542],[-1.989,4.7542],[-1.164,4.7542],[-0.339,4.7542],[0.486,4.7542],[0.6624,3.6652],[1.6833,3.8283],[2.3978,3.4158],[0.9817,3.0479],[0.2673,3.4604],[-0.4472,3.0479],[3.0667,-4.9164],[3.4792,-4.202],[3.1856,-3.34],[2.4711,-2.9275],[2.4711,-2.1025],[3.1856,-1.69],[3.9001,-2.1025],[3.9001,-2.92...
[[19,18,2],[18,17,1],[17,16,2],[16,15,1],[15,14,2],[14,19,1],[19,20,1],[20,23,1],[23,24,1],[24,25,1],[25,18,1],[13,21,1],[21,20,2],[14,13,1],[13,12,1],[25,26,2],[21,22,1],[6,5,1],[2,1,3],[2,3,1],[1,0,1],[3,4,3],[4,5,1],[6,7,1],[7,8,1],[10,9,1],[10,11,1],[36,35,2],[35,40,1],[40,39,2],[39,38,1],[38,37,2],[37,36,1],[36,30...
*.C=P(C)(C)N(C)CN(C)P(=C)(C)N(C)CN(C)C
*.[Q1]=P([A24])([A23])N([Z1])[X1]N([Z1])P(=[Q1])([A22])N([Z1])[X1]N(C)[Z1]
[[-8.6291,2.4742],[7.1315,0.5258],[7.1315,-0.9765],[8.6338,-0.9765],[7.1315,-2.4789],[4.9484,-0.9765],[4.9484,0.5258],[3.0704,-0.9765],[1.5681,-0.9765],[1.5681,0.5258],[0.0657,-0.9765],[0.0657,0.5258],[0.0657,-2.4789],[-1.7887,-0.9765],[-1.7887,0.5258],[-3.6526,-0.9765],[-5.1549,-0.9765],[-6.6573,-0.9765],[-5.1549,0.52...
[[17,16,1],[16,15,1],[16,18,1],[15,13,1],[13,10,1],[13,14,1],[10,12,1],[10,8,1],[10,11,2],[8,7,1],[8,9,1],[7,5,1],[5,6,1],[5,2,1],[2,3,1],[2,4,1],[2,1,2]]
CC1=CC=CC2=C1C1CC2C2=C1C(C)=CC=C2
[a]C1=CC=CC2=C1C1[u]C2C2=C1C([b])=CC=C2
[[-1.6767,-1.4402],[-1.6767,-0.6152],[-2.4046,-0.371],[-2.0002,0.192],[-1.3532,0.4346],[-0.4893,0.3327],[-0.9212,-0.316],[-0.0768,-0.0523],[-0.0768,1.4915],[0.3858,0.7193],[1.0652,0.3343],[0.6365,-0.371],[1.2318,-0.777],[0.8193,-1.4915],[1.9598,-0.777],[2.4046,-0.1299],[1.8902,0.3343]]
[[7,6,1],[6,5,2],[5,9,1],[9,10,1],[7,11,1],[10,11,2],[11,12,1],[12,14,2],[14,15,1],[15,16,2],[10,16,1],[5,4,1],[4,3,2],[3,2,1],[2,1,2],[6,1,1],[7,8,1],[9,8,1],[1,0,1],[12,13,1]]
COOOSc1cc2cc(S(=O)(=O)OC)cc(NC(=O)c3ccccc3)c2c(O)c1N=Nc1ccc(C)cc1S(=O)(=O)OC
COOOSc1cc2cc(S(=O)(=O)OC)cc(NC(=O)c3ccccc3)c2c(O)c1N=Nc1ccc(C)cc1S(=O)(=O)OC
[[-2.9387,-0.3029],[-2.9387,-1.1279],[-2.2242,-1.5404],[-1.5098,-1.1279],[-0.7953,-1.5404],[-0.0811,-1.128],[0.6329,-1.5405],[1.3446,-1.128],[2.0588,-1.5405],[2.7702,-1.128],[4.0076,-1.5404],[4.4201,-0.826],[3.2932,-1.1279],[3.5951,-2.2549],[2.7701,-2.2549],[2.7702,-0.303],[2.0588,0.1095],[2.0588,0.9345],[2.7702,1.347]...
[[37,35,4],[35,34,4],[34,33,4],[33,32,4],[32,38,4],[37,38,4],[35,36,1],[32,31,1],[31,30,2],[30,29,1],[29,5,4],[5,6,4],[6,7,4],[7,26,4],[26,27,4],[29,27,4],[7,8,4],[8,9,4],[9,15,4],[15,16,4],[26,16,4],[27,28,1],[16,17,1],[17,18,1],[18,19,2],[18,20,1],[20,21,4],[21,22,4],[22,23,4],[23,24,4],[24,25,4],[20,25,4],[38,39,1],...
[H][C@@]12CC[C@@H](C)C[C@]1(C)C=C(C)[C@H](/C=C/C)[C@@]2(C)/C(O)=C1\C(=O)C(CCC(=O)O)N(C)C1=O
[H][C@@]12CC[C@@H](C)C[C@]1(C)C=C(C)[C@H](/C=C/C)[C@@]2(C)/C(O)=C1\C(=O)C(CCC(=O)O)N(C)C1=O
[[-1.0497,-0.3949],[-1.0497,-1.2199],[-1.7642,-0.8074],[-2.4787,-1.2199],[-2.4787,-2.0449],[-3.1931,-2.4574],[-1.7642,-2.4574],[-1.0497,-2.0449],[-1.0497,-2.8699],[-0.3353,-2.4574],[0.3792,-2.0449],[1.0937,-2.4574],[0.3792,-1.2199],[1.0937,-0.8074],[1.8082,-1.2199],[2.5226,-0.8074],[-0.3353,-0.8074],[0.3792,-0.3949],[-...
[[3,4,1],[4,6,1],[6,7,1],[7,1,1],[1,2,1],[2,3,1],[7,9,1],[9,10,2],[10,12,1],[12,16,1],[16,1,1],[4,5,6],[7,8,6],[10,11,1],[16,17,5],[1,0,6],[16,18,6],[18,19,1],[18,20,2],[31,20,1],[20,21,1],[21,23,1],[23,29,1],[29,31,1],[31,32,2],[29,30,1],[23,24,1],[24,25,1],[25,26,1],[26,28,1],[26,27,2],[21,22,2],[12,13,5],[13,14,2],[...
CCSC(=N)NC(=S)NC1=CC=C(N2CCC(N(C)C)CC2)C=C1.CN(C)C1CCN(C2=CC=C(NC3=NC(N)=C(C(=O)C4=CC=C5OCCOC5=C4)S3)C=C2)CC1.O=C(CBr)C1=CC2=C(C=C1)OCCO2.P
CCSC(=N)NC(=S)NC1=CC=C(N2CCC(N(C)C)CC2)C=C1.CN(C)C1CCN(C2=CC=C(NC3=NC(N)=C(C(=O)C4=CC=C5OCCOC5=C4)S3)C=C2)CC1.O=C(CBr)C1=CC2=C(C=C1)OCCO2.P
[[-4.455,6.3092],[-3.8106,6.6812],[-3.1663,6.3092],[-2.5219,6.6812],[-2.5219,7.4253],[-1.8775,6.3092],[-1.2332,6.6812],[-1.2332,7.4253],[-0.5888,6.3092],[0.0556,6.6812],[0.0556,7.4253],[0.6999,7.7973],[1.3443,7.4253],[1.9886,7.7973],[2.633,7.4253],[3.2774,7.7973],[3.2774,8.5413],[3.9217,8.9133],[4.5661,8.5413],[3.9444,...
[[25,27,1],[27,28,1],[28,29,1],[29,30,1],[30,56,1],[56,57,1],[57,27,1],[30,31,1],[31,32,2],[32,33,1],[33,34,2],[34,54,1],[54,55,2],[55,31,1],[34,35,1],[35,36,1],[36,53,1],[53,40,1],[40,38,2],[37,36,2],[37,38,1],[38,39,1],[40,41,1],[41,42,2],[41,43,1],[43,44,2],[44,45,1],[45,46,2],[46,51,1],[51,52,2],[52,43,1],[25,24,1]...
CN1CC(C(=O)N(C)CCCC2=CC=C(F)C=C2)=C(O)C1=O
CN1CC(C(=O)N(C)CCCC2=CC=C(F)C=C2)=C(O)C1=O
[[3.6276,-1.4045],[3.2151,-0.69],[2.3901,-0.69],[2.1352,0.0946],[1.4207,0.5071],[1.4207,1.3321],[0.7062,0.0946],[0.7062,-0.7304],[-0.0082,0.5071],[-0.7227,0.0946],[-1.4372,0.5071],[-2.1516,0.0946],[-2.8661,0.5071],[-3.5806,0.0946],[-3.5806,-0.7304],[-4.2951,-1.1429],[-2.8661,-1.1429],[-2.1516,-0.7304],[2.8026,0.5795],[...
[[13,14,2],[14,16,1],[16,17,2],[17,11,1],[11,12,2],[12,13,1],[14,15,1],[10,11,1],[9,10,1],[8,9,1],[6,8,1],[4,6,1],[3,4,1],[6,7,1],[4,5,2],[18,19,1],[20,21,2],[1,0,1],[2,1,1],[1,20,1],[20,18,1],[18,3,2],[3,2,1]]
[H]C1(BC2([H])C(C)=C(OC(C)(C)C)C3C(C)=C(C)C(C)=C(C)C32)C(C)=C(O[2H](C)(C)C)C2=C1C(C)=C(C)C(C)=C2C
[H]C1(BC2([H])C([R17])=C(O[D]([R1])([R3])[R2])C3C([R12])=C([R11])C([R10])=C([R9])C32)C([R17])=C(O[2H]([R3])([R1])[R2])C2=C1C([R4])=C([R5])C([R6])=C2[R7]
[[-1.5023,0.0094],[-0.7512,1.3099],[0.0,0.0094],[0.7512,-1.2911],[1.5023,0.0094],[-0.1408,-2.5117],[-1.6432,-2.5117],[0.7512,-3.7371],[0.7512,-5.2394],[0.7512,-6.7418],[2.5916,-6.7418],[-0.7512,-6.7418],[0.7512,-8.2441],[2.1831,-3.2582],[3.4836,-4.0094],[3.4836,-5.5117],[4.7793,-3.2582],[6.0798,-4.0094],[4.7793,-1.7559...
[[37,35,1],[35,33,2],[33,32,1],[32,31,2],[31,39,1],[37,39,2],[32,1,1],[1,23,1],[25,23,2],[31,25,1],[39,40,1],[37,38,1],[35,36,1],[33,34,1],[25,26,1],[26,27,1],[27,28,1],[27,29,1],[27,30,1],[23,24,1],[1,0,1],[1,2,1],[13,22,1],[22,3,1],[3,5,1],[5,7,2],[13,7,1],[2,3,1],[4,3,1],[5,6,1],[13,14,1],[14,16,2],[16,18,1],[18,20,...