sulfonamide5HT2c_07
  SciTegic09262222253D

 48 50  0  0  0  0            999 V2000
   -0.9080   -2.0950    1.6270 C   0  0
   -1.6370   -1.9210    0.4340 C   0  0
   -3.1340   -1.9580    0.4470 C   0  0
   -3.6889   -3.3656    0.1649 C   0  0
   -0.9460   -1.7120   -0.7750 C   0  0
    0.4580   -1.6720   -0.7910 C   0  0
    1.1830   -1.8400    0.4030 C   0  0
    0.4960   -2.0530    1.6120 C   0  0
   -5.2235   -3.3978    0.1923 C   0  0
   -5.7895   -4.7934   -0.0891 C   0  0
    2.9190   -1.7810    0.3960 S   0  0
    3.3931   -0.5711    1.3916 N   0  0
    3.2334    0.7560    1.1545 C   0  0
    3.4183   -3.0264    0.9540 O   0  0
    3.6964    1.7065    2.0990 C   0  0
    3.5221    3.0876    1.8688 C   0  0
    2.8828    3.5590    0.6970 C   0  0
    2.4234    2.6356   -0.2506 C   0  0
    2.6066    1.2493   -0.0199 C   0  0
    1.7781    3.3517   -1.4052 C   0  0
    2.1361    4.7696   -1.1587 N   0  0
    2.5791    4.9617    0.2452 C   0  0
    3.4223   -1.5232   -0.9427 O   0  0
    1.2274    5.7726   -1.7048 C   0  0
   -1.4260   -2.2620    2.5610 H   0  0
   -3.5219   -1.2562   -0.2920 H   0  0
   -3.5042   -1.6036    1.4110 H   0  0
   -3.3019   -4.0703    0.9021 H   0  0
   -3.3421   -3.7128   -0.8093 H   0  0
   -1.4930   -1.5810   -1.6980 H   0  0
    0.9750   -1.5110   -1.7250 H   0  0
    1.0490   -2.1830    2.5310 H   0  0
   -5.6156   -2.6961   -0.5449 H   0  0
   -5.5793   -3.0546    1.1642 H   0  0
   -5.4447   -5.5145    0.6519 H   0  0
   -5.4844   -5.1504   -1.0733 H   0  0
   -6.8792   -4.7816   -0.0619 H   0  0
    3.7945   -0.8570    2.2632 H   0  0
    4.1879    1.3904    3.0086 H   0  0
    3.8816    3.7990    2.5982 H   0  0
    2.2446    0.5805   -0.7834 H   0  0
    0.7069    3.2141   -1.3686 H   0  0
    2.1570    3.0220   -2.3619 H   0  0
    3.4432    5.6072    0.2886 H   0  0
    1.7814    5.3777    0.8458 H   0  0
    1.6441    6.7711   -1.5742 H   0  0
    0.2630    5.7250   -1.1971 H   0  0
    1.0707    5.5988   -2.7688 H   0  0
  1  2  2  0
  1  8  1  0
  1 25  1  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  3 26  1  0
  3 27  1  0
  4  9  1  0
  4 28  1  0
  4 29  1  0
  5  6  2  0
  5 30  1  0
  6  7  1  0
  6 31  1  0
  7  8  2  0
  7 11  1  0
  8 32  1  0
  9 10  1  0
  9 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 10 37  1  0
 11 12  1  0
 11 14  2  0
 11 23  2  0
 12 13  1  0
 12 38  1  0
 13 15  2  0
 13 19  1  0
 15 16  1  0
 15 39  1  0
 16 17  2  0
 16 40  1  0
 17 18  1  0
 17 22  1  0
 18 19  2  0
 18 20  1  0
 19 41  1  0
 20 21  1  0
 20 42  1  0
 20 43  1  0
 21 22  1  0
 21 24  1  0
 22 44  1  0
 22 45  1  0
 24 46  1  0
 24 47  1  0
 24 48  1  0
M  END
> <Name>
sulfonamide5HT2c_07

> <pKi-5HT2c>
8

> <5HT2c_ligands_1>
1.60853

> <5HT2c_ligands_2>
2.0805

> <5HT2c_ligands_3>
2.44804

> <5HT2c_ligands_4>
0.902358

> <5HT2c_ligands_5>
1.88743

$$$$
sulfonamide5HT2c_08
  SciTegic09262222253D

 48 50  0  0  0  0            999 V2000
   -1.6985    0.3869    3.7330 C   0  0
   -2.1690    1.7082    3.5966 C   0  0
   -3.3550    2.1782    4.3838 C   0  0
   -4.6402    2.2833    3.5407 C   0  0
   -1.5157    2.5875    2.7109 C   0  0
   -0.4038    2.1517    1.9708 C   0  0
    0.0672    0.8341    2.1152 C   0  0
   -0.5862   -0.0490    2.9939 C   0  0
   -5.1452    0.9324    3.0081 C   0  0
   -6.4673    1.0609    2.2432 C   0  0
    1.4325    0.2907    1.1925 S   0  0
    0.8556   -0.3619   -0.1912 N   0  0
    1.6387   -0.8720   -1.1739 C   0  0
    2.2691    1.4313    0.8567 O   0  0
    1.0418   -1.4094   -2.3470 C   0  0
    1.8340   -1.9483   -3.3853 C   0  0
    3.2441   -1.9614   -3.2734 C   0  0
    3.8620   -1.4244   -2.1103 C   0  0
    3.0574   -0.8893   -1.0729 C   0  0
    2.1322   -0.7439    1.9364 O   0  0
    5.3444   -1.4095   -1.9743 C   0  0
    6.0510   -2.2867   -2.9178 N   0  0
    5.5557   -2.1338   -4.2863 C   0  0
    4.0715   -2.5418   -4.3623 C   0  0
   -2.1913   -0.2988    4.4068 H   0  0
   -3.1255    3.1540    4.8146 H   0  0
   -3.5323    1.5179    5.2352 H   0  0
   -4.4882    2.9734    2.7092 H   0  0
   -5.4202    2.7299    4.1585 H   0  0
   -1.8680    3.6022    2.5964 H   0  0
    0.0872    2.8324    1.2911 H   0  0
   -0.2351   -1.0647    3.1030 H   0  0
   -5.2777    0.2386    3.8391 H   0  0
   -4.3981    0.4883    2.3494 H   0  0
   -6.3603    1.7224    1.3827 H   0  0
   -7.2538    1.4648    2.8821 H   0  0
   -6.8008    0.0897    1.8778 H   0  0
   -0.1401   -0.3857   -0.3026 H   0  0
   -0.0329   -1.4150   -2.4648 H   0  0
    1.3555   -2.3518   -4.2661 H   0  0
    3.5555   -0.4924   -0.2001 H   0  0
    5.6245   -1.6974   -0.9596 H   0  0
    5.6910   -0.3843   -2.1152 H   0  0
    7.0577   -2.0680   -2.8912 H   0  0
    6.1506   -2.7512   -4.9600 H   0  0
    5.6867   -1.0982   -4.6057 H   0  0
    3.6681   -2.2517   -5.3341 H   0  0
    3.9913   -3.6283   -4.3051 H   0  0
  1  2  2  0
  1  8  1  0
  1 25  1  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  3 26  1  0
  3 27  1  0
  4  9  1  0
  4 28  1  0
  4 29  1  0
  5  6  2  0
  5 30  1  0
  6  7  1  0
  6 31  1  0
  7  8  2  0
  7 11  1  0
  8 32  1  0
  9 10  1  0
  9 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 10 37  1  0
 11 12  1  0
 11 14  2  0
 11 20  2  0
 12 13  1  0
 12 38  1  0
 13 15  2  0
 13 19  1  0
 15 16  1  0
 15 39  1  0
 16 17  2  0
 16 40  1  0
 17 18  1  0
 17 24  1  0
 18 19  2  0
 18 21  1  0
 19 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 23  1  0
 22 44  1  0
 23 24  1  0
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
M  END
> <Name>
sulfonamide5HT2c_08

> <pKi-5HT2c>
7.5

> <5HT2c_ligands_1>
1.68653

> <5HT2c_ligands_2>
2.16195

> <5HT2c_ligands_3>
1.55288

> <5HT2c_ligands_4>
0.0477488

> <5HT2c_ligands_5>
2.17136

$$$$
sulfonamide5HT2c_10
  SciTegic09262222253D

 51 53  0  0  0  0            999 V2000
   -0.3659   -2.7979   -0.6224 C   0  0
   -1.2989   -2.5773    0.4105 C   0  0
   -2.7700   -2.6430    0.1335 C   0  0
   -3.4372   -1.2523    0.1259 C   0  0
   -0.8386   -2.2842    1.7092 C   0  0
    0.5379   -2.1739    1.9642 C   0  0
    1.4654   -2.3518    0.9213 C   0  0
    1.0110   -2.6884   -0.3669 C   0  0
   -2.9048   -0.3111   -0.9697 C   0  0
   -3.5940    1.0580   -0.9559 C   0  0
    3.1663   -2.1508    1.2193 S   0  0
    3.7833   -1.1363    0.0899 N   0  0
    3.3107    0.1056   -0.1889 C   0  0
    3.3897   -1.5649    2.5310 O   0  0
    3.8010    0.8090   -1.3209 C   0  0
    3.2948    2.0835   -1.6587 C   0  0
    2.2835    2.6895   -0.8721 C   0  0
    1.7970    2.0122    0.2784 C   0  0
    2.3246    0.7392    0.6154 C   0  0
    3.8132   -3.4409    1.0529 O   0  0
   -0.6379    3.9949   -0.4543 N   0  0
    0.2424    3.9808   -1.6250 C   0  0
    1.7416    4.0180   -1.2593 C   0  0
    0.7388    2.6184    1.1284 C   0  0
   -0.6040    2.7986    0.3901 C   0  0
   -0.7045   -3.0481   -1.6175 H   0  0
   -2.9572   -3.1394   -0.8209 H   0  0
   -3.2446   -3.2709    0.8899 H   0  0
   -4.5109   -1.3826   -0.0124 H   0  0
   -3.3191   -0.7782    1.1016 H   0  0
   -1.5427   -2.1384    2.5159 H   0  0
    0.8779   -1.9465    2.9636 H   0  0
    1.7211   -2.8580   -1.1629 H   0  0
   -3.0404   -0.7740   -1.9482 H   0  0
   -1.8322   -0.1629   -0.8452 H   0  0
   -4.6660    0.9605   -1.1297 H   0  0
   -3.1866    1.7056   -1.7328 H   0  0
   -3.4528    1.5588    0.0024 H   0  0
    4.5838   -1.4714   -0.4105 H   0  0
    4.5699    0.3770   -1.9471 H   0  0
    3.6859    2.5921   -2.5279 H   0  0
    1.9514    0.2600    1.5072 H   0  0
   -0.4486    4.8327    0.1159 H   0  0
    0.0099    4.8610   -2.2246 H   0  0
    0.0045    3.1212   -2.2539 H   0  0
    1.9262    4.7374   -0.4595 H   0  0
    2.2907    4.4041   -2.1200 H   0  0
    0.5603    1.9906    2.0031 H   0  0
    1.0919    3.5701    1.5289 H   0  0
   -0.8515    1.9193   -0.2062 H   0  0
   -1.4010    2.8895    1.1288 H   0  0
  1  2  2  0
  1  8  1  0
  1 26  1  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  3 27  1  0
  3 28  1  0
  4  9  1  0
  4 29  1  0
  4 30  1  0
  5  6  2  0
  5 31  1  0
  6  7  1  0
  6 32  1  0
  7  8  2  0
  7 11  1  0
  8 33  1  0
  9 10  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 10 38  1  0
 11 12  1  0
 11 14  2  0
 11 20  2  0
 12 13  1  0
 12 39  1  0
 13 15  2  0
 13 19  1  0
 15 16  1  0
 15 40  1  0
 16 17  2  0
 16 41  1  0
 17 18  1  0
 17 23  1  0
 18 19  2  0
 18 24  1  0
 19 42  1  0
 21 22  1  0
 21 43  1  0
 22 23  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 24 25  1  0
 24 48  1  0
 24 49  1  0
 25 21  1  0
 25 50  1  0
 25 51  1  0
M  END
> <Name>
sulfonamide5HT2c_10

> <pKi-5HT2c>
7.3

> <5HT2c_ligands_1>
1.63411

> <5HT2c_ligands_2>
1.95645

> <5HT2c_ligands_3>
1.24678

> <5HT2c_ligands_4>
1.82501

> <5HT2c_ligands_5>
2.31525

$$$$
sulfonamide5HT2c_11
  SciTegic09262222253D

 54 56  0  0  0  0            999 V2000
   -0.7149   -2.9190   -1.0047 C   0  0
   -1.3542   -2.2234   -2.0510 C   0  0
   -2.8494   -2.1218   -2.0912 C   0  0
   -3.3674   -0.6836   -1.8757 C   0  0
   -0.5753   -1.6165   -3.0557 C   0  0
    0.8278   -1.6689   -2.9922 C   0  0
    1.4620   -2.3280   -1.9240 C   0  0
    0.6862   -2.9742   -0.9443 C   0  0
   -2.9151   -0.0177   -0.5618 C   0  0
   -3.4080   -0.7468    0.6952 C   0  0
    3.1960   -2.3160   -1.8100 S   0  0
    3.6810   -0.7550   -1.6980 N   0  0
    3.2468    0.1272   -0.7621 C   0  0
    3.6430   -3.0300   -0.6250 O   0  0
    3.5235    1.5119   -0.9126 C   0  0
    3.0285    2.4565    0.0158 C   0  0
    2.2463    2.0362    1.1193 C   0  0
    1.9918    0.6533    1.3067 C   0  0
    2.5059   -0.2857    0.3772 C   0  0
    3.7410   -2.8610   -3.0410 O   0  0
   -0.4989    2.0315    2.8530 N   0  0
    0.1471    3.0861    2.0488 C   0  0
    1.6895    3.0327    2.0681 C   0  0
    1.1841    0.1904    2.4624 C   0  0
   -0.2843    0.6496    2.3856 C   0  0
   -1.9326    2.3104    3.0075 C   0  0
   -1.2990   -3.4097   -0.2403 H   0  0
   -3.2961   -2.7827   -1.3463 H   0  0
   -3.2002   -2.4918   -3.0558 H   0  0
   -4.4571   -0.6947   -1.9114 H   0  0
   -3.0537   -0.0579   -2.7111 H   0  0
   -1.0533   -1.1042   -3.8774 H   0  0
    1.4199   -1.1960   -3.7630 H   0  0
    1.1632   -3.5113   -0.1372 H   0  0
   -3.2895    1.0050   -0.5412 H   0  0
   -1.8287    0.0638   -0.5403 H   0  0
   -2.9905   -1.7509    0.7629 H   0  0
   -4.4949   -0.8326    0.6969 H   0  0
   -3.1166   -0.2086    1.5962 H   0  0
    4.3550   -0.4509   -2.3743 H   0  0
    4.1150    1.8690   -1.7451 H   0  0
    3.2504    3.5041   -0.1269 H   0  0
    2.3134   -1.3307    0.5609 H   0  0
   -0.1424    4.0546    2.4585 H   0  0
   -0.2405    3.0670    1.0274 H   0  0
    2.0686    4.0260    1.8203 H   0  0
    2.0555    2.8314    3.0763 H   0  0
    1.1968   -0.9002    2.5080 H   0  0
    1.6446    0.5188    3.3954 H   0  0
   -0.6839    0.5304    1.3784 H   0  0
   -0.8664   -0.0209    3.0199 H   0  0
   -2.4364    2.2754    2.0405 H   0  0
   -2.0848    3.2973    3.4439 H   0  0
   -2.3955    1.5783    3.6697 H   0  0
  1  2  2  0
  1  8  1  0
  1 27  1  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  3 28  1  0
  3 29  1  0
  4  9  1  0
  4 30  1  0
  4 31  1  0
  5  6  2  0
  5 32  1  0
  6  7  1  0
  6 33  1  0
  7  8  2  0
  7 11  1  0
  8 34  1  0
  9 10  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 10 39  1  0
 11 12  1  0
 11 14  2  0
 11 20  2  0
 12 13  1  0
 12 40  1  0
 13 15  2  0
 13 19  1  0
 15 16  1  0
 15 41  1  0
 16 17  2  0
 16 42  1  0
 17 18  1  0
 17 23  1  0
 18 19  2  0
 18 24  1  0
 19 43  1  0
 21 22  1  0
 21 26  1  0
 22 23  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 24 25  1  0
 24 48  1  0
 24 49  1  0
 25 21  1  0
 25 50  1  0
 25 51  1  0
 26 52  1  0
 26 53  1  0
 26 54  1  0
M  END
> <Name>
sulfonamide5HT2c_11

> <pKi-5HT2c>
8

> <5HT2c_ligands_1>
1.888

> <5HT2c_ligands_2>
2.03019

> <5HT2c_ligands_3>
2.72815

> <5HT2c_ligands_4>
2.73666

> <5HT2c_ligands_5>
1.92041

$$$$
sulfonamide5HT2c_12
  SciTegic09262222253D

 52 55  0  0  0  0            999 V2000
   -4.1320   -1.8020    1.5790 C   0  0
   -4.8640   -1.7050    0.3690 C   0  0
   -6.3490   -1.6040    0.3740 C   0  0
   -4.1330   -1.7100   -0.8460 C   0  0
   -2.7320   -1.8100   -0.8500 C   0  0
   -2.0280   -1.9200    0.3590 C   0  0
   -2.7310   -1.9090    1.5740 C   0  0
   -0.2970   -2.0430    0.3520 S   0  0
    0.3060   -0.5220    0.3360 N   0  0
    1.6310   -0.2320    0.3490 C   0  0
    0.1420   -2.7040    1.5700 O   0  0
    2.6220   -1.2500    0.3700 C   0  0
    3.9960   -0.9230    0.3860 C   0  0
    4.4150    0.4310    0.3800 C   0  0
    3.4400    1.4620    0.3570 C   0  0
    2.0610    1.1230    0.3410 C   0  0
    0.1270   -2.7220   -0.8620 O   0  0
    6.0610    2.9270   -0.8900 N   0  0
    6.3390    1.4780   -0.8840 C   0  0
    5.8620    0.7630    0.3960 C   0  0
    3.8580    2.8870    0.3460 C   0  0
    4.6320    3.2900   -0.9260 C   0  0
    6.7910    3.5910   -1.9750 C   0  0
   -7.0500   -1.0410   -0.7220 C   0  0
   -8.4530   -0.9500   -0.7190 C   0  0
   -9.1870   -1.4140    0.3840 C   0  0
   -8.5140   -1.9710    1.4820 C   0  0
   -7.1120   -2.0670    1.4760 C   0  0
  -10.8990   -1.3000    0.3890 Cl  0  0
   -4.6220   -1.7930    2.5410 H   0  0
   -4.6240   -1.6400   -1.8050 H   0  0
   -2.1970   -1.8050   -1.7880 H   0  0
   -2.1970   -1.9820    2.5100 H   0  0
   -0.3560    0.2300    0.3070 H   0  0
    2.3530   -2.2960    0.3740 H   0  0
    4.7260   -1.7190    0.4020 H   0  0
    1.3300    1.9210    0.3230 H   0  0
    7.4190    1.3370   -0.9440 H   0  0
    5.9250    1.0140   -1.7820 H   0  0
    6.4470   -0.1520    0.5120 H   0  0
    6.0920    1.3610    1.2790 H   0  0
    4.4470    3.1050    1.2390 H   0  0
    2.9780    3.5280    0.4250 H   0  0
    4.1650    2.8830   -1.8250 H   0  0
    4.5560    4.3750   -1.0140 H   0  0
    6.6560    4.6720   -1.9210 H   0  0
    6.4380    3.2430   -2.9470 H   0  0
    7.8600    3.3860   -1.8990 H   0  0
   -6.5340   -0.6610   -1.5920 H   0  0
   -8.9550   -0.5200   -1.5740 H   0  0
   -9.0640   -2.3310    2.3410 H   0  0
   -6.6450   -2.5120    2.3430 H   0  0
  1  2  2  0
  1  7  1  0
  1 30  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 31  1  0
  5  6  1  0
  5 32  1  0
  6  7  2  0
  6  8  1  0
  7 33  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 34  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 35  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  1  0
 24 49  1  0
 25 26  2  0
 25 50  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 51  1  0
 28 52  1  0
M  END
> <Name>
sulfonamide5HT2c_12

> <pKi-5HT2c>
7.7

> <5HT2c_ligands_1>
2.20032

> <5HT2c_ligands_2>
0.348757

> <5HT2c_ligands_3>
2.68699

> <5HT2c_ligands_4>
0.23616

> <5HT2c_ligands_5>
2.02094

$$$$
sulfonamide5HT2c_13
  SciTegic09262222253D

 52 55  0  0  0  0            999 V2000
   -4.1430   -1.7880    1.5730 C   0  0
   -4.8710   -1.7020    0.3600 C   0  0
   -6.3550   -1.5970    0.3600 C   0  0
   -4.1360   -1.7190   -0.8530 C   0  0
   -2.7350   -1.8210   -0.8510 C   0  0
   -2.0350   -1.9200    0.3610 C   0  0
   -2.7420   -1.8980    1.5740 C   0  0
   -0.3040   -2.0460    0.3610 S   0  0
    0.3000   -0.5260    0.3350 N   0  0
    1.6250   -0.2360    0.3590 C   0  0
    0.1290   -2.6980    1.5860 O   0  0
    2.6160   -1.2540    0.3970 C   0  0
    3.9900   -0.9280    0.4240 C   0  0
    4.4090    0.4250    0.4120 C   0  0
    3.4350    1.4570    0.3720 C   0  0
    2.0570    1.1180    0.3450 C   0  0
    0.1240   -2.7340   -0.8460 O   0  0
    6.0700    2.9100   -0.8600 N   0  0
    6.3470    1.4620   -0.8390 C   0  0
    5.8560    0.7570    0.4410 C   0  0
    3.8540    2.8810    0.3540 C   0  0
    4.6410    3.2730   -0.9130 C   0  0
    6.8120    3.5660   -1.9430 C   0  0
   -7.1200   -2.0630    1.4580 C   0  0
   -8.5210   -1.9640    1.4610 C   0  0
   -9.1930   -1.4050    0.3650 C   0  0
   -8.4580   -0.9370   -0.7410 C   0  0
   -7.0520   -1.0310   -0.7370 C   0  0
  -10.5240   -1.3270    0.3910 F   0  0
   -9.2540   -0.2490   -2.1000 Cl  0  0
   -4.6360   -1.7700    2.5340 H   0  0
   -4.6250   -1.6580   -1.8130 H   0  0
   -2.1970   -1.8250   -1.7880 H   0  0
   -2.2110   -1.9630    2.5120 H   0  0
   -0.3600    0.2260    0.2910 H   0  0
    2.3460   -2.3000    0.4060 H   0  0
    4.7190   -1.7240    0.4530 H   0  0
    1.3270    1.9160    0.3140 H   0  0
    7.4270    1.3190   -0.8870 H   0  0
    5.9430    0.9910   -1.7370 H   0  0
    6.4390   -0.1570    0.5700 H   0  0
    6.0780    1.3610    1.3210 H   0  0
    4.4340    3.1060    1.2510 H   0  0
    2.9740    3.5240    0.4190 H   0  0
    4.1830    2.8600   -1.8130 H   0  0
    4.5670    4.3580   -1.0110 H   0  0
    6.6770    4.6480   -1.8980 H   0  0
    6.4680    3.2110   -2.9160 H   0  0
    7.8790    3.3610   -1.8540 H   0  0
   -6.6560   -2.5100    2.3250 H   0  0
   -9.0800   -2.3230    2.3130 H   0  0
   -6.5170   -0.6530   -1.5960 H   0  0
  1  2  2  0
  1  7  1  0
  1 31  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 32  1  0
  5  6  1  0
  5 33  1  0
  6  7  2  0
  6  8  1  0
  7 34  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 35  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 36  1  0
 13 14  2  0
 13 37  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 38  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 39  1  0
 19 40  1  0
 20 41  1  0
 20 42  1  0
 21 22  1  0
 21 43  1  0
 21 44  1  0
 22 18  1  0
 22 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 23 49  1  0
 24 25  1  0
 24 50  1  0
 25 26  2  0
 25 51  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 30  1  0
 28 52  1  0
M  END
> <Name>
sulfonamide5HT2c_13

> <pKi-5HT2c>
7.5

> <5HT2c_ligands_1>
1.84032

> <5HT2c_ligands_2>
0.000772099

> <5HT2c_ligands_3>
2.04011

> <5HT2c_ligands_4>
2.01466

> <5HT2c_ligands_5>
1.92575

$$$$
sulfonamide5HT2c_14
  SciTegic09262222253D

 53 56  0  0  0  0            999 V2000
   -1.8155   -0.9487    3.3784 C   0  0
   -2.5187   -1.5870    2.3284 C   0  0
   -4.0004   -1.5463    2.2610 C   0  0
   -1.7661   -2.2641    1.3386 C   0  0
   -0.3632   -2.2905    1.3872 C   0  0
    0.3190   -1.6360    2.4250 C   0  0
   -0.4107   -0.9715    3.4243 C   0  0
    2.0550   -1.6240    2.4700 S   0  0
    2.5490   -0.0720    2.2940 N   0  0
    2.5046    0.6626    1.1519 C   0  0
    2.4850   -2.0680    3.7850 O   0  0
    2.9849    2.0007    1.1601 C   0  0
    2.9448    2.7961   -0.0070 C   0  0
    2.4223    2.2747   -1.2152 C   0  0
    1.9424    0.9406   -1.2464 C   0  0
    1.9919    0.1488   -0.0706 C   0  0
    2.6060   -2.4390    1.3990 O   0  0
    2.6531    1.5128   -4.3654 N   0  0
    3.2731    2.5944   -3.5773 C   0  0
    2.3794    3.1203   -2.4352 C   0  0
    1.3908    0.3711   -2.5029 C   0  0
    2.4342    0.2533   -3.6317 C   0  0
    3.4118    1.2718   -5.5991 C   0  0
   -4.6695   -1.6682    1.0168 C   0  0
   -6.0713   -1.6340    0.9415 C   0  0
   -6.8269   -1.4719    2.1140 C   0  0
   -6.1897   -1.3442    3.3599 C   0  0
   -4.7859   -1.3837    3.4303 C   0  0
   -8.2636   -1.4350    2.0402 C   0  0
   -9.4214   -1.4054    1.9790 N   0  0
   -2.3354   -0.4238    4.1673 H   0  0
   -2.2471   -2.7822    0.5212 H   0  0
    0.1837   -2.8157    0.6197 H   0  0
    0.1083   -0.4730    4.2300 H   0  0
    2.8523    0.3789    3.1359 H   0  0
    3.3895    2.4354    2.0625 H   0  0
    3.3176    3.8097    0.0328 H   0  0
    1.6235   -0.8620   -0.1345 H   0  0
    3.4654    3.4366   -4.2438 H   0  0
    4.2507    2.2770   -3.2078 H   0  0
    2.7021    4.1335   -2.1909 H   0  0
    1.3483    3.2255   -2.7745 H   0  0
    0.5351    0.9634   -2.8305 H   0  0
    0.9863   -0.6235   -2.3087 H   0  0
    3.3843   -0.1353   -3.2615 H   0  0
    2.0605   -0.4918   -4.3353 H   0  0
    2.9058    0.5314   -6.2199 H   0  0
    4.4151    0.9085   -5.3694 H   0  0
    3.4966    2.1907   -6.1815 H   0  0
   -4.1228   -1.7855    0.0928 H   0  0
   -6.5525   -1.7338   -0.0215 H   0  0
   -6.7613   -1.2171    4.2683 H   0  0
   -4.3278   -1.2895    4.4039 H   0  0
  1  2  2  0
  1  7  1  0
  1 31  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 32  1  0
  5  6  1  0
  5 33  1  0
  6  7  2  0
  6  8  1  0
  7 34  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 35  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 36  1  0
 13 14  2  0
 13 37  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 38  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 39  1  0
 19 40  1  0
 20 41  1  0
 20 42  1  0
 21 22  1  0
 21 43  1  0
 21 44  1  0
 22 18  1  0
 22 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 23 49  1  0
 24 25  1  0
 24 50  1  0
 25 26  2  0
 25 51  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 52  1  0
 28 53  1  0
 29 30  3  0
M  END
> <Name>
sulfonamide5HT2c_14

> <pKi-5HT2c>
7

> <5HT2c_ligands_1>
1.98562

> <5HT2c_ligands_2>
2.01546

> <5HT2c_ligands_3>
2.32958

> <5HT2c_ligands_4>
1.77089

> <5HT2c_ligands_5>
1.74114

$$$$
sulfonamide5HT2c_15
  SciTegic09262222253D

 55 58  0  0  0  0            999 V2000
   -0.7334   -2.5978   -0.9216 C   0  0
   -1.4530   -1.9582   -1.9724 C   0  0
   -2.9310   -1.9211   -2.0234 C   0  0
   -0.7226   -1.3315   -3.0100 C   0  0
    0.6794   -1.2954   -2.9883 C   0  0
    1.3820   -1.8880   -1.9300 C   0  0
    0.6746   -2.5436   -0.9087 C   0  0
    3.1170   -1.8030   -1.8890 S   0  0
    3.5550   -0.2260   -1.8250 N   0  0
    3.3182    0.6167   -0.7877 C   0  0
    3.6400   -2.4830   -0.7150 O   0  0
    3.7069    1.9802   -0.8810 C   0  0
    3.4548    2.8826    0.1759 C   0  0
    2.8016    2.4442    1.3536 C   0  0
    2.4076    1.0866    1.4680 C   0  0
    2.6816    0.1855    0.4083 C   0  0
    3.6290   -2.3490   -3.1330 O   0  0
    0.3640    2.5915    3.4896 N   0  0
    1.0212    3.6420    2.6894 C   0  0
    2.5263    3.3982    2.4564 C   0  0
    1.7063    0.6104    2.6861 C   0  0
    0.3175    1.2542    2.8721 C   0  0
   -0.9778    3.0194    3.9036 C   0  0
   -3.6938   -1.5805   -0.8824 C   0  0
   -5.0968   -1.5503   -0.9375 C   0  0
   -5.7611   -1.8505   -2.1384 C   0  0
   -5.0164   -2.1810   -3.2842 C   0  0
   -3.6133   -2.2163   -3.2262 C   0  0
   -7.4741   -1.8102   -2.2073 Cl  0  0
   -1.4137   -3.3462    0.1869 C   0  0
   -1.2311   -0.8599   -3.8404 H   0  0
    1.2189   -0.8068   -3.7870 H   0  0
    1.2211   -3.0120   -0.1022 H   0  0
    4.0134    0.1322   -2.6408 H   0  0
    4.2048    2.3524   -1.7663 H   0  0
    3.7634    3.9138    0.0757 H   0  0
    2.3880   -0.8435    0.5401 H   0  0
    0.9311    4.5883    3.2257 H   0  0
    0.4891    3.7811    1.7459 H   0  0
    2.9992    4.3573    2.2394 H   0  0
    3.0028    3.0492    3.3742 H   0  0
    2.3314    0.7809    3.5631 H   0  0
    1.5767   -0.4727    2.6372 H   0  0
   -0.2360    1.2959    1.9311 H   0  0
   -0.2547    0.5944    3.5252 H   0  0
   -1.4306    2.2774    4.5613 H   0  0
   -1.6240    3.1556    3.0342 H   0  0
   -0.9275    3.9619    4.4505 H   0  0
   -3.2145   -1.3329    0.0538 H   0  0
   -5.6546   -1.2934   -0.0478 H   0  0
   -5.5126   -2.4108   -4.2162 H   0  0
   -3.0676   -2.4772   -4.1219 H   0  0
   -2.2957   -3.8799   -0.1694 H   0  0
   -1.7081   -2.6649    0.9851 H   0  0
   -0.7539   -4.0963    0.6256 H   0  0
  1  2  2  0
  1  7  1  0
  1 30  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 31  1  0
  5  6  1  0
  5 32  1  0
  6  7  2  0
  6  8  1  0
  7 33  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 34  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 35  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  1  0
 24 49  1  0
 25 26  2  0
 25 50  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 51  1  0
 28 52  1  0
 30 53  1  0
 30 54  1  0
 30 55  1  0
M  END
> <Name>
sulfonamide5HT2c_15

> <pKi-5HT2c>
7.3

> <5HT2c_ligands_1>
2.6814

> <5HT2c_ligands_2>
3.42037

> <5HT2c_ligands_3>
2.92791

> <5HT2c_ligands_4>
0.0206354

> <5HT2c_ligands_5>
3.59011

$$$$
sulfonamide5HT2c_16
  SciTegic09262222253D

 49 52  0  0  0  0            999 V2000
    1.8432   -2.6661   -0.0763 C   0  0
    3.1260   -2.6010    1.0610 S   0  0
    3.6490   -1.0620    1.2140 N   0  0
    2.8600   -0.0110    1.5530 C   0  0
    2.6570   -3.0580    2.3585 O   0  0
    3.4018    1.3016    1.5734 C   0  0
    2.5977    2.4136    1.9063 C   0  0
    1.2288    2.2409    2.2278 C   0  0
    0.6711    0.9364    2.2225 C   0  0
    1.4892   -0.1756    1.8925 C   0  0
    4.2277   -3.3914    0.5402 O   0  0
   -1.9312    2.8188    1.7560 N   0  0
   -0.7446    3.6675    1.5445 C   0  0
    0.3867    3.4169    2.5627 C   0  0
   -0.7607    0.7307    2.5553 C   0  0
   -1.7214    1.3755    1.5367 C   0  0
   -3.0660    3.3059    0.9634 C   0  0
    0.7375   -3.5068    0.1352 C   0  0
   -0.2030   -3.4107   -0.9127 C   0  0
    0.2209   -2.4954   -1.8969 C   0  0
    1.7310   -1.8057   -1.5368 S   0  0
   -0.6615   -2.2656   -3.0745 C   0  0
   -2.0672   -2.3445   -2.9805 C   0  0
   -2.8681   -2.1224   -4.1134 C   0  0
   -2.2722   -1.8135   -5.3494 C   0  0
   -0.8714   -1.7287   -5.4475 C   0  0
   -0.0716   -1.9537   -4.3136 C   0  0
   -3.2490   -1.5420   -6.7309 Cl  0  0
    4.6270   -0.9080    1.0620 H   0  0
    4.4419    1.4721    1.3329 H   0  0
    3.0378    3.4010    1.9117 H   0  0
    1.0382   -1.1560    1.9061 H   0  0
   -1.0453    4.7104    1.6541 H   0  0
   -0.3896    3.5655    0.5167 H   0  0
    1.0080    4.3126    2.6078 H   0  0
   -0.0201    3.3038    3.5692 H   0  0
   -0.9620    1.1008    3.5620 H   0  0
   -0.9795   -0.3384    2.5973 H   0  0
   -1.3973    1.1965    0.5091 H   0  0
   -2.6826    0.8698    1.6397 H   0  0
   -3.9648    2.7306    1.1895 H   0  0
   -2.8552    3.2195   -0.1041 H   0  0
   -3.2742    4.3503    1.1955 H   0  0
    0.6175   -4.1512    0.9964 H   0  0
   -1.1209   -3.9848   -0.9251 H   0  0
   -2.5438   -2.5752   -2.0394 H   0  0
   -3.9428   -2.1906   -4.0215 H   0  0
   -0.3979   -1.4920   -6.3896 H   0  0
    1.0030   -1.8845   -4.4025 H   0  0
  1  2  1  0
  1 18  2  0
  1 21  1  0
  2  3  1  0
  2  5  2  0
  2 11  2  0
  3  4  1  0
  3 29  1  0
  4  6  2  0
  4 10  1  0
  6  7  1  0
  6 30  1  0
  7  8  2  0
  7 31  1  0
  8  9  1  0
  8 14  1  0
  9 10  2  0
  9 15  1  0
 10 32  1  0
 12 13  1  0
 12 17  1  0
 13 14  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 16  1  0
 15 37  1  0
 15 38  1  0
 16 12  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 17 43  1  0
 18 19  1  0
 18 44  1  0
 19 20  2  0
 19 45  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 27  1  0
 23 24  1  0
 23 46  1  0
 24 25  2  0
 24 47  1  0
 25 26  1  0
 25 28  1  0
 26 27  2  0
 26 48  1  0
 27 49  1  0
M  END
> <Name>
sulfonamide5HT2c_16

> <pKi-5HT2c>
6.9

> <5HT2c_ligands_1>
2.49742

> <5HT2c_ligands_2>
2.31947

> <5HT2c_ligands_3>
3.02359

> <5HT2c_ligands_4>
0.0321807

> <5HT2c_ligands_5>
0.101045

$$$$
sulfonamide5HT2c_17
  SciTegic09262222253D

 52 55  0  0  0  0            999 V2000
   -2.7407   -0.8072    1.7507 C   0  0
   -3.3856   -1.4158    0.6571 C   0  0
   -4.7023   -0.8760    0.2142 C   0  0
   -2.7667   -2.5080    0.0128 C   0  0
   -1.5240   -2.9850    0.4622 C   0  0
   -0.8838   -2.3716    1.5540 C   0  0
   -1.4969   -1.2823    2.1985 C   0  0
    0.6541   -2.9655    2.1012 S   0  0
    1.6967   -2.9395    0.8396 N   0  0
    2.1905   -1.8234    0.2452 C   0  0
    1.1802   -2.1306    3.1689 O   0  0
    3.0909   -1.9488   -0.8466 C   0  0
    3.6169   -0.8073   -1.4905 C   0  0
    3.2548    0.4923   -1.0581 C   0  0
    2.3592    0.6396    0.0323 C   0  0
    1.8377   -0.5142    0.6732 C   0  0
    0.4885   -4.3525    2.5011 O   0  0
    2.0044    3.4453   -1.5626 N   0  0
    2.7331    2.5307   -2.4604 C   0  0
    3.8072    1.6870   -1.7445 C   0  0
    1.9646    1.9921    0.5010 C   0  0
    1.1615    2.7901   -0.5456 C   0  0
    1.2230    4.4187   -2.3352 C   0  0
   -5.6190   -1.7529   -0.3981 C   0  0
   -6.8071   -1.0803   -0.7564 C   0  0
   -6.7732    0.2806   -0.4067 C   0  0
   -5.3087    0.7058    0.3445 S   0  0
   -7.8568    1.3146   -0.6306 C   0  0
   -3.1991    0.0313    2.2549 H   0  0
   -3.2354   -2.9900   -0.8322 H   0  0
   -1.0596   -3.8246   -0.0338 H   0  0
   -1.0151   -0.8056    3.0394 H   0  0
    1.9466   -3.8339    0.4645 H   0  0
    3.3900   -2.9242   -1.2054 H   0  0
    4.2991   -0.9359   -2.3184 H   0  0
    1.1597   -0.3672    1.4997 H   0  0
    3.2472    3.1282   -3.2149 H   0  0
    2.0277    1.9016   -3.0073 H   0  0
    4.5451    1.3758   -2.4863 H   0  0
    4.3632    2.2975   -1.0309 H   0  0
    2.8510    2.5478    0.8106 H   0  0
    1.3553    1.9067    1.4026 H   0  0
    0.4047    2.1692   -1.0297 H   0  0
    0.6127    3.5630   -0.0051 H   0  0
    1.8663    4.9620   -3.0283 H   0  0
    0.7587    5.1494   -1.6719 H   0  0
    0.4398    3.9169   -2.9056 H   0  0
   -5.4720   -2.8088   -0.5852 H   0  0
   -7.6465   -1.5585   -1.2434 H   0  0
   -8.1935    1.7200    0.3245 H   0  0
   -8.7126    0.8708   -1.1404 H   0  0
   -7.4740    2.1334   -1.2416 H   0  0
  1  2  2  0
  1  7  1  0
  1 29  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 27  1  0
  4  5  2  0
  4 30  1  0
  5  6  1  0
  5 31  1  0
  6  7  2  0
  6  8  1  0
  7 32  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 33  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 34  1  0
 13 14  2  0
 13 35  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 36  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 20 40  1  0
 21 22  1  0
 21 41  1  0
 21 42  1  0
 22 18  1  0
 22 43  1  0
 22 44  1  0
 23 45  1  0
 23 46  1  0
 23 47  1  0
 24 25  1  0
 24 48  1  0
 25 26  2  0
 25 49  1  0
 26 27  1  0
 26 28  1  0
 28 50  1  0
 28 51  1  0
 28 52  1  0
M  END
> <Name>
sulfonamide5HT2c_17

> <pKi-5HT2c>
7.9

> <5HT2c_ligands_1>
2.1016

> <5HT2c_ligands_2>
2.01945

> <5HT2c_ligands_3>
2.56408

> <5HT2c_ligands_4>
1.80632

> <5HT2c_ligands_5>
0.785051

$$$$
sulfonamide5HT2c_18
  SciTegic09262222253D

 54 57  0  0  0  0            999 V2000
   -0.0410   -2.7890   -0.8340 C   0  0
   -0.0100   -2.1350   -2.0800 C   0  0
   -1.2000   -2.1780   -2.9700 C   0  0
    1.1480   -1.4400   -2.4730 C   0  0
    2.2580   -1.3740   -1.6140 C   0  0
    2.2140   -2.0020   -0.3560 C   0  0
    1.0690   -2.7270    0.0230 C   0  0
    3.5670   -1.8670    0.7280 S   0  0
    3.8620   -0.2770    0.9910 N   0  0
    2.9510    0.6200    1.4470 C   0  0
    3.2710   -2.4990    2.0030 O   0  0
    3.2570    2.0070    1.4350 C   0  0
    2.3080    2.9640    1.8580 C   0  0
    1.0260    2.5560    2.3040 C   0  0
    0.7120    1.1740    2.3510 C   0  0
    1.6790    0.2210    1.9400 C   0  0
    4.7350   -2.4290    0.0720 O   0  0
   -2.2150    2.5460    2.1140 N   0  0
   -1.2230    3.5930    1.8000 C   0  0
    0.0200    3.5670    2.7140 C   0  0
   -0.6220    0.7220    2.8190 C   0  0
   -1.7690    1.1600    1.8860 C   0  0
   -3.4810    2.8050    1.4150 C   0  0
   -2.4870   -1.7860   -2.6350 C   0  0
   -3.2670   -2.0050   -3.7400 N   0  0
   -2.5120   -2.4960   -4.7160 O   0  0
   -1.2250   -2.6160   -4.2780 C   0  0
   -0.0920   -3.1490   -5.1320 C   0  0
   -3.0260   -1.2170   -1.3340 C   0  0
   -0.9200   -3.3400   -0.5320 H   0  0
    1.1880   -0.9500   -3.4350 H   0  0
    3.1440   -0.8380   -1.9200 H   0  0
    1.0350   -3.2340    0.9760 H   0  0
    4.7950    0.0340    0.8040 H   0  0
    4.2230    2.3550    1.0960 H   0  0
    2.5680    4.0130    1.8340 H   0  0
    1.4160   -0.8230    2.0100 H   0  0
   -1.6980    4.5660    1.9350 H   0  0
   -0.9460    3.5400    0.7460 H   0  0
    0.4720    4.5610    2.7010 H   0  0
   -0.2690    3.4000    3.7530 H   0  0
   -0.7960    1.0750    3.8370 H   0  0
   -0.6390   -0.3680    2.8900 H   0  0
   -1.5090    1.0180    0.8340 H   0  0
   -2.6100    0.4920    2.0770 H   0  0
   -4.2390    2.0820    1.7190 H   0  0
   -3.3450    2.7350    0.3350 H   0  0
   -3.8550    3.8000    1.6570 H   0  0
    0.5850   -2.3410   -5.4090 H   0  0
   -0.4830   -3.6010   -6.0440 H   0  0
    0.4730   -3.9060   -4.5850 H   0  0
   -3.6230   -0.3240   -1.5260 H   0  0
   -2.2170   -0.9410   -0.6580 H   0  0
   -3.6570   -1.9530   -0.8340 H   0  0
  1  2  2  0
  1  7  1  0
  1 30  1  0
  2  3  1  0
  2  4  1  0
  3 24  1  0
  3 27  2  0
  4  5  2  0
  4 31  1  0
  5  6  1  0
  5 32  1  0
  6  7  2  0
  6  8  1  0
  7 33  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 34  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 35  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  2  0
 24 29  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 49  1  0
 28 50  1  0
 28 51  1  0
 29 52  1  0
 29 53  1  0
 29 54  1  0
M  END
> <Name>
sulfonamide5HT2c_18

> <pKi-5HT2c>
6.4

> <5HT2c_ligands_1>
2.59379

> <5HT2c_ligands_2>
2.61022

> <5HT2c_ligands_3>
2.77957

> <5HT2c_ligands_4>
0.397497

> <5HT2c_ligands_5>
0.145589

$$$$
sulfonamide5HT2c_19
  SciTegic09262222253D

 55 58  0  0  0  0            999 V2000
   -3.8719    0.5913    1.1645 C   0  0
   -3.8749    1.5057    0.0813 C   0  0
   -4.4021    2.8871    0.2428 C   0  0
   -3.3585    1.0587   -1.1609 C   0  0
   -2.8626   -0.2463   -1.3138 C   0  0
   -2.8632   -1.1341   -0.2263 C   0  0
   -3.3710   -0.7119    1.0127 C   0  0
   -2.2501   -2.7490   -0.4088 S   0  0
   -1.1230   -3.0122    0.7498 N   0  0
    0.1081   -2.4334    0.8142 C   0  0
   -3.3436   -3.6755   -0.1694 O   0  0
    1.0296   -2.7647    1.8592 C   0  0
    2.3016   -2.1404    1.9076 C   0  0
    2.6867   -1.1863    0.9360 C   0  0
    1.7867   -0.8526   -0.1049 C   0  0
    0.5152   -1.4761   -0.1570 C   0  0
   -1.6392   -2.9266   -1.7164 O   0  0
    3.6920    1.7715    0.0541 N   0  0
    3.9512    0.9782    1.2694 C   0  0
    4.0216   -0.5408    1.0126 C   0  0
    2.1680    0.1470   -1.1348 C   0  0
    2.3691    1.5652   -0.5629 C   0  0
    3.9325    3.1984    0.3038 C   0  0
   -4.4535    3.5079    1.5162 C   0  0
   -4.9544    4.8114    1.6698 C   0  0
   -5.4101    5.5277    0.5520 C   0  0
   -5.3653    4.9335   -0.7198 C   0  0
   -4.8701    3.6278   -0.8714 C   0  0
   -6.0185    7.1201    0.7386 Cl  0  0
    0.6895   -3.7576    2.9120 C   0  0
   -4.2561    0.8624    2.1364 H   0  0
   -3.3252    1.7036   -2.0264 H   0  0
   -2.4792   -0.5625   -2.2728 H   0  0
   -3.3775   -1.3907    1.8530 H   0  0
   -1.4122   -3.6243    1.4860 H   0  0
    2.9907   -2.3960    2.7001 H   0  0
   -0.1405   -1.1942   -0.9661 H   0  0
    4.9192    1.2784    1.6744 H   0  0
    3.2163    1.2216    2.0395 H   0  0
    4.6037   -0.9946    1.8171 H   0  0
    4.5857   -0.7509    0.1022 H   0  0
    1.3945    0.1975   -1.9038 H   0  0
    3.0656   -0.1867   -1.6582 H   0  0
    1.5800    1.8285    0.1446 H   0  0
    2.2676    2.2624   -1.3962 H   0  0
    3.2247    3.5850    1.0391 H   0  0
    4.9453    3.3563    0.6768 H   0  0
    3.8264    3.7714   -0.6180 H   0  0
   -4.1078    3.0044    2.4066 H   0  0
   -4.9827    5.2533    2.6560 H   0  0
   -5.7105    5.4715   -1.5912 H   0  0
   -4.8657    3.2141   -1.8691 H   0  0
    0.4426   -4.7213    2.4642 H   0  0
    1.5118   -3.9250    3.6099 H   0  0
   -0.1682   -3.4172    3.4932 H   0  0
  1  2  2  0
  1  7  1  0
  1 31  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 32  1  0
  5  6  1  0
  5 33  1  0
  6  7  2  0
  6  8  1  0
  7 34  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 35  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  1  0
 24 49  1  0
 25 26  2  0
 25 50  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 51  1  0
 28 52  1  0
 30 53  1  0
 30 54  1  0
 30 55  1  0
M  END
> <Name>
sulfonamide5HT2c_19

> <pKi-5HT2c>
7.1

> <5HT2c_ligands_1>
0.442137

> <5HT2c_ligands_2>
1.08091

> <5HT2c_ligands_3>
0.391418

> <5HT2c_ligands_4>
1.78206

> <5HT2c_ligands_5>
2.84552

$$$$
sulfonamide5HT2c_20
  SciTegic09262222253D

 61 64  0  0  0  0            999 V2000
   -3.9138   -2.2203    0.6146 C   0  0
   -4.3482   -0.9667    0.1153 C   0  0
   -5.6458   -0.3768    0.5407 C   0  0
   -3.5018   -0.2930   -0.8008 C   0  0
   -2.2697   -0.8426   -1.1905 C   0  0
   -1.8530   -2.0784   -0.6719 C   0  0
   -2.6787   -2.7668    0.2303 C   0  0
   -0.3084   -2.7336   -1.1133 S   0  0
    0.7624   -2.1722   -0.0118 N   0  0
    2.0529   -2.5808    0.1023 C   0  0
    0.0733   -2.2388   -2.4258 O   0  0
    2.8954   -2.1769    1.1954 C   0  0
    4.2407   -2.6350    1.2354 C   0  0
    4.7686   -3.4849    0.2359 C   0  0
    3.9406   -3.8933   -0.8350 C   0  0
    2.6012   -3.4390   -0.8926 C   0  0
   -0.3625   -4.1841   -1.0279 O   0  0
    6.1767   -6.2449   -0.7293 N   0  0
    6.3115   -5.4685    0.5170 C   0  0
    6.1778   -3.9457    0.3148 C   0  0
    4.4691   -4.7934   -1.8910 C   0  0
    4.8480   -6.1928   -1.3657 C   0  0
    6.5958   -7.6365   -0.5210 C   0  0
   -6.2573   -0.7563    1.7620 C   0  0
   -7.4808   -0.1978    2.1672 C   0  0
   -8.1203    0.7584    1.3626 C   0  0
   -7.5328    1.1501    0.1492 C   0  0
   -6.3125    0.5859   -0.2584 C   0  0
   -9.6110    1.4453    1.8601 Cl  0  0
    2.4389   -1.2905    2.3212 C   0  0
    1.2830   -1.8866    3.1524 C   0  0
    2.1990    0.1716    1.8919 C   0  0
   -4.5150   -2.7962    1.3019 H   0  0
   -3.7704    0.6628   -1.2243 H   0  0
   -1.6421   -0.3086   -1.8891 H   0  0
   -2.3661   -3.7193    0.6331 H   0  0
    0.4216   -1.4457    0.5794 H   0  0
    4.8830   -2.3311    2.0493 H   0  0
    2.0019   -3.7685   -1.7290 H   0  0
    5.6066   -5.8367    1.2659 H   0  0
    7.3069   -5.6484    0.9269 H   0  0
    6.7204   -3.6277   -0.5773 H   0  0
    6.6818   -3.4470    1.1450 H   0  0
    5.3219   -4.3239   -2.3837 H   0  0
    3.7220   -4.9176   -2.6770 H   0  0
    4.8529   -6.8651   -2.2256 H   0  0
    4.0905   -6.5845   -0.6832 H   0  0
    7.6100   -7.6759   -0.1215 H   0  0
    6.5892   -8.1828   -1.4654 H   0  0
    5.9254   -8.1398    0.1781 H   0  0
   -5.8045   -1.4804    2.4222 H   0  0
   -7.9198   -0.5122    3.1036 H   0  0
   -8.0108    1.8860   -0.4818 H   0  0
   -5.9096    0.9150   -1.2043 H   0  0
    3.2562   -1.2190    3.0418 H   0  0
    1.1294   -1.2994    4.0582 H   0  0
    1.5070   -2.9068    3.4674 H   0  0
    0.3289   -1.9044    2.6299 H   0  0
    1.3523    0.2991    1.2209 H   0  0
    2.0021    0.7954    2.7645 H   0  0
    3.0765    0.5872    1.3946 H   0  0
  1  2  2  0
  1  7  1  0
  1 33  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 34  1  0
  5  6  1  0
  5 35  1  0
  6  7  2  0
  6  8  1  0
  7 36  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 37  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 38  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 39  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 20 43  1  0
 21 22  1  0
 21 44  1  0
 21 45  1  0
 22 18  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 23 49  1  0
 23 50  1  0
 24 25  1  0
 24 51  1  0
 25 26  2  0
 25 52  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 53  1  0
 28 54  1  0
 30 31  1  0
 30 32  1  0
 30 55  1  0
 31 56  1  0
 31 57  1  0
 31 58  1  0
 32 59  1  0
 32 60  1  0
 32 61  1  0
M  END
> <Name>
sulfonamide5HT2c_20

> <pKi-5HT2c>
7.8

> <5HT2c_ligands_1>
0.772543

> <5HT2c_ligands_2>
1.23546

> <5HT2c_ligands_3>
0.320744

> <5HT2c_ligands_4>
1.66959

> <5HT2c_ligands_5>
2.9632

$$$$
sulfonamide5HT2c_21
  SciTegic09262222253D

 52 55  0  0  0  0            999 V2000
   -3.1900   -1.4633   -0.7457 C   0  0
   -3.8875   -0.2942   -0.3499 C   0  0
   -5.0970   -0.3748    0.5126 C   0  0
   -3.3924    0.9541   -0.8044 C   0  0
   -2.2467    1.0308   -1.6131 C   0  0
   -1.5698   -0.1393   -1.9916 C   0  0
   -2.0486   -1.3866   -1.5604 C   0  0
   -0.1551   -0.0503   -2.9961 S   0  0
    1.0510   -0.8949   -2.2768 N   0  0
    1.7169   -0.5377   -1.1403 C   0  0
    0.2690    1.3290   -3.1738 O   0  0
    2.8035   -1.3116   -0.6069 C   0  0
    3.4573   -0.8964    0.5805 C   0  0
    3.0612    0.2772    1.2636 C   0  0
    1.9932    1.0517    0.7511 C   0  0
    1.3384    0.6408   -0.4363 C   0  0
   -0.4559   -0.7109   -4.2549 O   0  0
    3.6519    3.2123    2.5194 N   0  0
    4.5171    2.0289    2.3643 C   0  0
    3.7636    0.6906    2.5051 C   0  0
    1.5602    2.2884    1.4501 C   0  0
    2.6376    3.3919    1.4644 C   0  0
    4.4589    4.4288    2.6774 C   0  0
   -5.5132    0.7307    1.2965 C   0  0
   -6.6564    0.6560    2.1095 C   0  0
   -7.4078   -0.5291    2.1632 C   0  0
   -7.0128   -1.6375    1.3974 C   0  0
   -5.8732   -1.5595    0.5796 C   0  0
   -8.8009   -0.6220    3.1587 Cl  0  0
    3.4530   -2.9051   -1.4041 Br  0  0
   -3.5073   -2.4471   -0.4335 H   0  0
   -3.8781    1.8839   -0.5493 H   0  0
   -1.8897    1.9955   -1.9423 H   0  0
   -1.5372   -2.2916   -1.8541 H   0  0
    1.2569   -1.7680   -2.7171 H   0  0
    4.2759   -1.4778    0.9828 H   0  0
    0.5309    1.2634   -0.7893 H   0  0
    5.2747    2.0525    3.1496 H   0  0
    5.0628    2.0854    1.4200 H   0  0
    3.0534    0.7346    3.3325 H   0  0
    4.4855   -0.0763    2.7927 H   0  0
    1.2452    2.0456    2.4663 H   0  0
    0.6682    2.6921    0.9670 H   0  0
    2.1234    4.3381    1.6410 H   0  0
    3.1227    3.4925    0.4912 H   0  0
    5.1493    4.3236    3.5152 H   0  0
    3.8195    5.2883    2.8811 H   0  0
    5.0348    4.6286    1.7725 H   0  0
   -4.9668    1.6623    1.2990 H   0  0
   -6.9475    1.5193    2.6913 H   0  0
   -7.5789   -2.5580    1.4280 H   0  0
   -5.6193   -2.4374    0.0044 H   0  0
  1  2  2  0
  1  7  1  0
  1 31  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 32  1  0
  5  6  1  0
  5 33  1  0
  6  7  2  0
  6  8  1  0
  7 34  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 35  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  1  0
 24 49  1  0
 25 26  2  0
 25 50  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 51  1  0
 28 52  1  0
M  END
> <Name>
sulfonamide5HT2c_21

> <pKi-5HT2c>
6.9

> <5HT2c_ligands_1>
2.52066

> <5HT2c_ligands_2>
0.92036

> <5HT2c_ligands_3>
0.120692

> <5HT2c_ligands_4>
1.34259

> <5HT2c_ligands_5>
2.6005

$$$$
sulfonamide5HT2c_22
  SciTegic09262222253D

 52 55  0  0  0  0            999 V2000
   -2.7441   -1.3265   -1.4771 C   0  0
   -2.7505   -0.1725   -2.3006 C   0  0
   -3.9037    0.7659   -2.2998 C   0  0
   -1.6207    0.0568   -3.1252 C   0  0
   -0.5295   -0.8277   -3.1228 C   0  0
   -0.5417   -1.9634   -2.2970 C   0  0
   -1.6552   -2.2131   -1.4790 C   0  0
    0.8095   -3.0557   -2.2982 S   0  0
    2.1807   -2.1921   -2.0560 N   0  0
    2.5371   -1.5594   -0.9015 C   0  0
    0.6781   -4.0431   -1.2396 O   0  0
    3.7765   -0.8490   -0.7728 C   0  0
    4.1042   -0.1992    0.4421 C   0  0
    3.2244   -0.2331    1.5492 C   0  0
    1.9983   -0.9318    1.4411 C   0  0
    1.6701   -1.5851    0.2274 C   0  0
    0.9016   -3.6567   -3.6177 O   0  0
    1.3860    1.2155    3.7982 N   0  0
    2.6416    1.6344    3.1493 C   0  0
    3.5841    0.4620    2.8104 C   0  0
    1.0580   -0.9776    2.5895 C   0  0
    0.4834    0.4040    2.9611 C   0  0
    0.6756    2.3760    4.3500 C   0  0
   -3.7463    2.1200   -2.6880 C   0  0
   -4.8359    3.0066   -2.6904 C   0  0
   -6.1084    2.5607   -2.2984 C   0  0
   -6.2866    1.2238   -1.9072 C   0  0
   -5.1974    0.3366   -1.9107 C   0  0
   -7.4383    3.6432   -2.2975 Cl  0  0
    4.9359   -0.7306   -2.0482 Cl  0  0
   -3.5698   -1.5593   -0.8214 H   0  0
   -1.5624    0.9119   -3.7825 H   0  0
    0.3209   -0.6318   -3.7597 H   0  0
   -1.6784   -3.0876   -0.8459 H   0  0
    2.7650   -2.1093   -2.8628 H   0  0
    5.0398    0.3348    0.5336 H   0  0
    0.7263   -2.1068    0.1910 H   0  0
    2.4233    2.2412    2.2679 H   0  0
    3.1806    2.2886    3.8367 H   0  0
    4.6010    0.8523    2.7384 H   0  0
    3.6144   -0.2562    3.6309 H   0  0
    0.2219   -1.6393    2.3546 H   0  0
    1.5479   -1.4354    3.4502 H   0  0
    0.1889    0.9665    2.0726 H   0  0
   -0.4364    0.2275    3.5211 H   0  0
    1.3211    2.9326    5.0305 H   0  0
   -0.2004    2.0542    4.9140 H   0  0
    0.3510    3.0439    3.5505 H   0  0
   -2.7875    2.5147   -2.9897 H   0  0
   -4.6816    4.0320   -2.9958 H   0  0
   -7.2592    0.8645   -1.6016 H   0  0
   -5.3887   -0.6826   -1.6094 H   0  0
  1  2  2  0
  1  7  1  0
  1 31  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 32  1  0
  5  6  1  0
  5 33  1  0
  6  7  2  0
  6  8  1  0
  7 34  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 35  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 36  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 37  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 22  1  0
 21 42  1  0
 21 43  1  0
 22 18  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
 23 48  1  0
 24 25  1  0
 24 49  1  0
 25 26  2  0
 25 50  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 51  1  0
 28 52  1  0
M  END
> <Name>
sulfonamide5HT2c_22

> <pKi-5HT2c>
7.4

> <5HT2c_ligands_1>
1.40367

> <5HT2c_ligands_2>
1.58365

> <5HT2c_ligands_3>
2.87515

> <5HT2c_ligands_4>
2.04698

> <5HT2c_ligands_5>
2.85927

$$$$
sulfonamide5HT2c_23
  SciTegic09262222253D

 56 59  0  0  0  0            999 V2000
   -3.2865   -0.5755    2.2130 C   0  0
   -3.1035   -0.0113    3.5006 C   0  0
   -3.7035   -0.6395    4.7074 C   0  0
   -2.3288    1.1715    3.5987 C   0  0
   -1.7645    1.7666    2.4585 C   0  0
   -1.9604    1.1926    1.1923 C   0  0
   -2.7178    0.0168    1.0735 C   0  0
   -1.2487    1.9140   -0.2167 S   0  0
    0.1796    1.1583   -0.4747 N   0  0
    1.0448    1.3805   -1.5041 C   0  0
   -0.9955    3.3211    0.0466 O   0  0
    0.8398    2.3694   -2.5174 C   0  0
    1.8036    2.5206   -3.5535 C   0  0
    2.9649    1.7132   -3.6047 C   0  0
    3.1752    0.7344   -2.6046 C   0  0
    2.2201    0.5797   -1.5706 C   0  0
   -2.1219    1.6753   -1.3543 O   0  0
    6.1848    1.3055   -3.6797 N   0  0
    5.3289    2.3852   -4.2041 C   0  0
    3.9526    1.8962   -4.6983 C   0  0
    4.3871   -0.1238   -2.6347 C   0  0
    5.6995    0.6632   -2.4451 C   0  0
    7.5669    1.7710   -3.5147 C   0  0
   -4.0299   -2.0189    4.7295 C   0  0
   -4.5995   -2.6123    5.8680 C   0  0
   -4.8506   -1.8407    7.0147 C   0  0
   -4.5323   -0.4730    7.0161 C   0  0
   -3.9683    0.1205    5.8748 C   0  0
   -5.5426   -2.5652    8.4060 Cl  0  0
   -0.2673    3.1460   -2.4714 O   0  0
   -0.5457    4.1559   -3.4456 C   0  0
   -3.8690   -1.4726    2.0648 H   0  0
   -2.1438    1.6504    4.5484 H   0  0
   -1.1776    2.6676    2.5605 H   0  0
   -2.8658   -0.4355    0.1037 H   0  0
    0.4302    0.4714    0.2110 H   0  0
    1.6622    3.2624   -4.3251 H   0  0
    2.4030   -0.1741   -0.8162 H   0  0
    5.2304    3.1795   -3.4612 H   0  0
    5.8327    2.8371   -5.0599 H   0  0
    4.0547    0.9669   -5.2615 H   0  0
    3.5735    2.6234   -5.4189 H   0  0
    4.3258   -0.8755   -1.8454 H   0  0
    4.4119   -0.6933   -3.5655 H   0  0
    6.4538   -0.0510   -2.1105 H   0  0
    5.6130    1.4032   -1.6468 H   0  0
    7.6217    2.5549   -2.7578 H   0  0
    8.2141    0.9470   -3.2121 H   0  0
    7.9517    2.1663   -4.4554 H   0  0
   -3.8490   -2.6579    3.8775 H   0  0
   -4.8394   -3.6662    5.8494 H   0  0
   -4.7179    0.1352    7.8909 H   0  0
   -3.7502    1.1771    5.9246 H   0  0
   -0.6403    3.7078   -4.4365 H   0  0
    0.2430    4.9106   -3.4420 H   0  0
   -1.4898    4.6374   -3.1889 H   0  0
  1  2  2  0
  1  7  1  0
  1 32  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 33  1  0
  5  6  1  0
  5 34  1  0
  6  7  2  0
  6  8  1  0
  7 35  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 36  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 37  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 38  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 39  1  0
 19 40  1  0
 20 41  1  0
 20 42  1  0
 21 22  1  0
 21 43  1  0
 21 44  1  0
 22 18  1  0
 22 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 23 49  1  0
 24 25  1  0
 24 50  1  0
 25 26  2  0
 25 51  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 52  1  0
 28 53  1  0
 30 31  1  0
 31 54  1  0
 31 55  1  0
 31 56  1  0
M  END
> <Name>
sulfonamide5HT2c_23

> <pKi-5HT2c>
7.4

> <5HT2c_ligands_1>
0.749598

> <5HT2c_ligands_2>
0.938169

> <5HT2c_ligands_3>
0.347017

> <5HT2c_ligands_4>
1.3976

> <5HT2c_ligands_5>
3.05788

$$$$
sulfonamide5HT2c_24
  SciTegic09262222253D

 62 65  0  0  0  0            999 V2000
   -1.8155   -3.2732   -0.2931 C   0  0
   -2.9452   -2.7530    0.3864 C   0  0
   -4.2670   -2.6598   -0.2888 C   0  0
   -2.7670   -2.3133    1.7226 C   0  0
   -1.4983   -2.3246    2.3260 C   0  0
   -0.3801   -2.7782    1.6074 C   0  0
   -0.5503   -3.2927    0.3134 C   0  0
    1.2123   -2.7004    2.2998 S   0  0
    2.1808   -1.8566    1.2780 N   0  0
    1.9958   -0.5573    0.9167 C   0  0
    1.7381   -4.0505    2.3908 O   0  0
    2.8257    0.0486   -0.0764 C   0  0
    2.5798    1.3947   -0.4663 C   0  0
    1.5311    2.1494    0.1168 C   0  0
    0.7359    1.5664    1.1335 C   0  0
    0.9718    0.2246    1.5170 C   0  0
    1.1870   -2.0135    3.5799 O   0  0
    0.4019    4.7552    1.6929 N   0  0
    1.5088    4.6127    0.7319 C   0  0
    1.2651    3.5367   -0.3437 C   0  0
   -0.3402    2.3486    1.7942 C   0  0
    0.1776    3.5840    2.5608 C   0  0
    0.5683    5.9807    2.4848 C   0  0
   -5.2433   -1.7268    0.1428 C   0  0
   -6.4745   -1.6040   -0.5222 C   0  0
   -6.7611   -2.4164   -1.6308 C   0  0
   -5.8183   -3.3645   -2.0599 C   0  0
   -4.5891   -3.4885   -1.3924 C   0  0
   -8.2530   -2.2479   -2.4585 Cl  0  0
    3.8171   -0.7015   -0.6215 O   0  0
    4.7982   -0.1911   -1.5360 C   0  0
    5.8073    0.7095   -0.8012 C   0  0
    5.5081   -1.3917   -2.1745 C   0  0
   -1.8822   -3.6627   -1.2978 H   0  0
   -3.5965   -1.9569    2.3152 H   0  0
   -1.3866   -1.9752    3.3424 H   0  0
    0.2949   -3.6972   -0.2227 H   0  0
    2.9524   -2.3626    0.8887 H   0  0
    3.1891    1.8666   -1.2211 H   0  0
    0.3427   -0.1894    2.2897 H   0  0
    2.4449    4.4403    1.2649 H   0  0
    1.6317    5.5631    0.2095 H   0  0
    0.2448    3.6036   -0.7261 H   0  0
    1.9016    3.7675   -1.2001 H   0  0
   -0.8773    1.7132    2.5013 H   0  0
   -1.0864    2.6397    1.0532 H   0  0
   -0.5799    3.8418    3.3035 H   0  0
    1.0833    3.3584    3.1283 H   0  0
   -0.2859    6.1299    3.1465 H   0  0
    0.6389    6.8507    1.8297 H   0  0
    1.4739    5.9272    3.0910 H   0  0
   -5.0715   -1.0747    0.9867 H   0  0
   -7.1950   -0.8789   -0.1716 H   0  0
   -6.0270   -4.0070   -2.9038 H   0  0
   -3.9034   -4.2391   -1.7561 H   0  0
    4.2996    0.3571   -2.3363 H   0  0
    6.5714    1.0740   -1.4883 H   0  0
    6.3123    0.1629   -0.0044 H   0  0
    5.3349    1.5817   -0.3525 H   0  0
    6.0067   -2.0013   -1.4203 H   0  0
    4.7993   -2.0310   -2.7011 H   0  0
    6.2613   -1.0673   -2.8932 H   0  0
  1  2  2  0
  1  7  1  0
  1 34  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 35  1  0
  5  6  1  0
  5 36  1  0
  6  7  2  0
  6  8  1  0
  7 37  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 38  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 39  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 40  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 41  1  0
 19 42  1  0
 20 43  1  0
 20 44  1  0
 21 22  1  0
 21 45  1  0
 21 46  1  0
 22 18  1  0
 22 47  1  0
 22 48  1  0
 23 49  1  0
 23 50  1  0
 23 51  1  0
 24 25  1  0
 24 52  1  0
 25 26  2  0
 25 53  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 54  1  0
 28 55  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 56  1  0
 32 57  1  0
 32 58  1  0
 32 59  1  0
 33 60  1  0
 33 61  1  0
 33 62  1  0
M  END
> <Name>
sulfonamide5HT2c_24

> <pKi-5HT2c>
7.4

> <5HT2c_ligands_1>
0.845203

> <5HT2c_ligands_2>
1.16563

> <5HT2c_ligands_3>
3.18334

> <5HT2c_ligands_4>
1.40947

> <5HT2c_ligands_5>
3.46048

$$$$
sulfonamide5HT2c_25
  SciTegic09262222253D

 60 63  0  0  0  0            999 V2000
   -3.3747   -0.2619    1.5332 C   0  0
   -3.9927    0.0285    0.2913 C   0  0
   -5.0649   -0.8447   -0.2569 C   0  0
   -3.5541    1.1800   -0.4096 C   0  0
   -2.5444    2.0060    0.1105 C   0  0
   -1.9412    1.6965    1.3397 C   0  0
   -2.3603    0.5606    2.0499 C   0  0
   -0.6915    2.7209    1.9766 S   0  0
    0.4779    2.8803    0.8399 N   0  0
    1.4258    1.9526    0.5153 C   0  0
   -0.1146    2.1478    3.1821 O   0  0
    2.5539    2.2553   -0.3339 C   0  0
    3.4410    1.1998   -0.6896 C   0  0
    3.2749   -0.1175   -0.2027 C   0  0
    2.1997   -0.4031    0.6682 C   0  0
    1.2940    0.6261    1.0156 C   0  0
   -1.2594    4.0398    2.1997 O   0  0
    2.8610   -3.3149   -0.6012 N   0  0
    3.5608   -2.3128   -1.4263 C   0  0
    4.2227   -1.1882   -0.6043 C   0  0
    2.0152   -1.7737    1.2102 C   0  0
    1.6789   -2.8171    0.1259 C   0  0
    2.5192   -4.4983   -1.3998 C   0  0
   -6.0071   -0.3491   -1.1929 C   0  0
   -7.0190   -1.1737   -1.7117 C   0  0
   -7.1168   -2.5131   -1.3014 C   0  0
   -6.1956   -3.0247   -0.3738 C   0  0
   -5.1801   -2.2011    0.1392 C   0  0
   -8.3549   -3.5186   -1.9302 Cl  0  0
    2.8371    3.5026   -0.8236 N   0  0
    2.7676    4.7229    0.0216 C   0  0
    3.2619    3.6984   -2.2337 C   0  0
   -3.6634   -1.1183    2.1236 H   0  0
   -3.9759    1.4581   -1.3635 H   0  0
   -2.2307    2.8816   -0.4388 H   0  0
   -1.9049    0.3139    2.9975 H   0  0
    0.4211    3.7193    0.2999 H   0  0
    4.2777    1.3916   -1.3477 H   0  0
    0.4850    0.3594    1.6777 H   0  0
    4.3570   -2.8171   -1.9762 H   0  0
    2.8834   -1.9116   -2.1828 H   0  0
    5.0293   -0.7605   -1.2028 H   0  0
    4.7134   -1.5966    0.2809 H   0  0
    2.9040   -2.0726    1.7686 H   0  0
    1.2073   -1.7746    1.9447 H   0  0
    1.2066   -3.6615    0.6308 H   0  0
    0.9372   -2.4372   -0.5802 H   0  0
    3.4127   -4.9173   -1.8643 H   0  0
    1.8060   -4.2401   -2.1843 H   0  0
    2.0796   -5.2716   -0.7685 H   0  0
   -5.9821    0.6751   -1.5347 H   0  0
   -7.7187   -0.7645   -2.4267 H   0  0
   -6.2571   -4.0532   -0.0464 H   0  0
   -4.4923   -2.6466    0.8421 H   0  0
    1.8887    5.3136   -0.2379 H   0  0
    2.7378    4.4843    1.0863 H   0  0
    3.6494    5.3407   -0.1511 H   0  0
    4.3448    3.6054   -2.3156 H   0  0
    2.9774    4.6923   -2.5812 H   0  0
    2.7931    2.9679   -2.8947 H   0  0
  1  2  2  0
  1  7  1  0
  1 33  1  0
  2  3  1  0
  2  4  1  0
  3 24  2  0
  3 28  1  0
  4  5  2  0
  4 34  1  0
  5  6  1  0
  5 35  1  0
  6  7  2  0
  6  8  1  0
  7 36  1  0
  8  9  1  0
  8 11  2  0
  8 17  2  0
  9 10  1  0
  9 37  1  0
 10 12  2  0
 10 16  1  0
 12 13  1  0
 12 30  1  0
 13 14  2  0
 13 38  1  0
 14 15  1  0
 14 20  1  0
 15 16  2  0
 15 21  1  0
 16 39  1  0
 18 19  1  0
 18 23  1  0
 19 20  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 20 43  1  0
 21 22  1  0
 21 44  1  0
 21 45  1  0
 22 18  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 23 49  1  0
 23 50  1  0
 24 25  1  0
 24 51  1  0
 25 26  2  0
 25 52  1  0
 26 27  1  0
 26 29  1  0
 27 28  2  0
 27 53  1  0
 28 54  1  0
 30 31  1  0
 30 32  1  0
 31 55  1  0
 31 56  1  0
 31 57  1  0
 32 58  1  0
 32 59  1  0
 32 60  1  0
M  END
> <Name>
sulfonamide5HT2c_25

> <pKi-5HT2c>
8.3

> <5HT2c_ligands_1>
2.89922

> <5HT2c_ligands_2>
0.952044

> <5HT2c_ligands_3>
2.863

> <5HT2c_ligands_4>
1.72418

> <5HT2c_ligands_5>
3.11876

$$$$
Nafoxidine Hydrochloride
  SciTegic09262222253D

 63 67  0  0  0  0            999 V2000
    1.8642    0.8687    1.9229 C   0  0
    2.7147    2.1181    1.8354 C   0  0
    2.1016   -0.0393    2.9168 C   0  0
    0.7721    0.6503    0.8919 C   0  0
    3.5592    2.4727    2.9240 C   0  0
    2.6968    2.9506    0.6813 C   0  0
    1.2200   -1.2390    3.2047 C   0  0
    3.3256    0.1505    3.8003 C   0  0
   -0.2470    1.6077    0.7218 C   0  0
    0.7618   -0.5127    0.0951 C   0  0
    3.5854    1.6247    4.1357 C   0  0
    4.3650    3.6364    2.8523 C   0  0
    3.4975    4.1139    0.6209 C   0  0
   -0.1868   -1.1202    3.2447 C   0  0
    1.8070   -2.4976    3.4466 C   0  0
   -1.2591    1.4051   -0.2291 C   0  0
   -0.2538   -0.7136   -0.8548 C   0  0
    4.3406    4.4671    1.7078 C   0  0
   -0.9898   -2.2441    3.5024 C   0  0
    1.0034   -3.6211    3.7075 C   0  0
   -1.2781    0.2464   -1.0260 C   0  0
    5.1274    5.5660    1.7145 O   0  0
   -0.3952   -3.4948    3.7317 C   0  0
   -2.2685    0.1170   -1.9030 O   0  0
    5.1723    6.4702    0.6066 C   0  0
   -2.3963   -1.0248   -2.7574 C   0  0
   -3.6460   -0.8472   -3.6315 C   0  0
   -3.8358   -1.9811   -4.5424 N   0  0
   -4.8633   -1.8029   -5.5567 C   0  0
   -4.0861   -3.2819   -3.9217 C   0  0
   -5.1468   -3.2054   -6.0761 C   0  0
   -5.1516   -3.9869   -4.7645 C   0  0
    2.0813    2.7198   -0.1753 H   0  0
    3.2162   -0.4032    4.7339 H   0  0
    4.1942   -0.2751    3.2945 H   0  0
   -0.2580    2.5052    1.3231 H   0  0
    1.5359   -1.2589    0.2089 H   0  0
    4.5418    1.7152    4.6534 H   0  0
    2.8214    1.9870    4.8246 H   0  0
    5.0062    3.8985    3.6818 H   0  0
    3.4523    4.7243   -0.2688 H   0  0
   -0.6638   -0.1659    3.0802 H   0  0
    2.8816   -2.6120    3.4307 H   0  0
   -2.0330    2.1491   -0.3480 H   0  0
   -0.2302   -1.6170   -1.4462 H   0  0
   -2.0653   -2.1441    3.5247 H   0  0
    1.4608   -4.5822    3.8894 H   0  0
   -1.0138   -4.3590    3.9275 H   0  0
    5.8687    7.2756    0.8395 H   0  0
    5.5223    5.9545   -0.2902 H   0  0
    4.1848    6.9020    0.4335 H   0  0
   -2.4797   -1.9233   -2.1423 H   0  0
   -1.5063   -1.1112   -3.3850 H   0  0
   -3.5511    0.0703   -4.2152 H   0  0
   -4.5328   -0.7330   -3.0049 H   0  0
   -5.7541   -1.3798   -5.1106 H   0  0
   -4.5213   -1.1354   -6.3349 H   0  0
   -3.1643   -3.8452   -3.8993 H   0  0
   -4.4281   -3.1674   -2.9014 H   0  0
   -4.3505   -3.5465   -6.7235 H   0  0
   -6.0820   -3.2762   -6.6123 H   0  0
   -6.1185   -3.9007   -4.2878 H   0  0
   -4.9436   -5.0377   -4.9050 H   0  0
  1  2  1  0
  1  3  2  0
  1  4  1  0
  2  5  2  0
  2  6  1  0
  3  7  1  0
  3  8  1  0
  4  9  2  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  2  0
  7 14  2  0
  7 15  1  0
  9 16  1  0
 10 17  2  0
 12 18  2  0
 14 19  1  0
 15 20  2  0
 16 21  2  0
 18 22  1  0
 19 23  2  0
 21 24  1  0
 22 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 29 31  1  0
 30 32  1  0
  8 11  1  0
 13 18  1  0
 17 21  1  0
 20 23  1  0
 31 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 19 46  1  0
 20 47  1  0
 23 48  1  0
 25 49  1  0
 25 50  1  0
 25 51  1  0
 26 52  1  0
 26 53  1  0
 27 54  1  0
 27 55  1  0
 29 56  1  0
 29 57  1  0
 30 58  1  0
 30 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 32 63  1  0
M  END
> <Name>
Nafoxidine Hydrochloride

> <Molecular_Formula>
C29H31NO2

> <Molecular_Weight>
425.574

> <activityclass>
EstrogenAntagonist

> <cas_rn>
1847-63-8

> <nsc>
70735

> <5HT2c_ligands_1>
2.79544

> <5HT2c_ligands_2>
2.46189

> <5HT2c_ligands_3>
2.56954

> <5HT2c_ligands_4>
2.57562

> <5HT2c_ligands_5>
0.831102

$$$$
Trioxifene
  SciTegic09262222253D

 65 69  0  0  0  0            999 V2000
   -8.6625    0.9714    1.1577 C   0  0
   -9.3359   -0.1718    0.8379 C   0  0
   -9.0097    2.2646    0.4656 C   0  0
   -7.5735    0.9868    2.1726 C   0  0
   -9.1619   -1.4821    1.5800 C   0  0
  -10.3051   -0.1473   -0.3348 C   0  0
  -10.1843    2.3485   -0.3339 C   0  0
   -8.1769    3.4097    0.5999 C   0  0
   -6.2869    0.2237    1.9533 C   0  0
   -7.7439    1.6302    3.1839 O   0  0
   -9.0707   -1.5259    2.9866 C   0  0
   -9.0950   -2.6895    0.8571 C   0  0
  -11.0767    1.1742   -0.4513 C   0  0
  -10.5021    3.5571   -1.0032 C   0  0
   -8.5047    4.6135   -0.0646 C   0  0
   -5.3516    0.1079    3.0008 C   0  0
   -5.9975   -0.3815    0.7128 C   0  0
   -8.8941   -2.7503    3.6513 C   0  0
   -8.9234   -3.9136    1.5237 C   0  0
   -9.6637    4.6862   -0.8687 C   0  0
   -4.1565   -0.6064    2.8161 C   0  0
   -4.8024   -1.0961    0.5307 C   0  0
   -8.8168   -3.9562    2.9323 C   0  0
   -3.8704   -1.2200    1.5758 C   0  0
   -8.6475   -5.0811    3.6205 O   0  0
   -2.7617   -1.9138    1.3390 O   0  0
   -8.5537   -6.3587    2.9833 C   0  0
   -1.7613   -2.1284    2.3416 C   0  0
   -0.6250   -2.9818    1.7605 C   0  0
   -1.1129   -4.2520    1.2105 N   0  0
   -1.7500   -5.1568    2.1530 C   0  0
   -0.0979   -5.0649    0.5593 C   0  0
   -1.8683   -6.4836    1.4133 C   0  0
   -0.6957   -6.4647    0.4264 C   0  0
   -9.7423   -0.3252   -1.2525 H   0  0
  -11.0249   -0.9637   -0.2575 H   0  0
   -7.2823    3.3857    1.2041 H   0  0
   -9.1376   -0.6227    3.5747 H   0  0
   -9.1724   -2.6857   -0.2205 H   0  0
  -11.6223    1.1943   -1.3964 H   0  0
  -11.8240    1.2337    0.3413 H   0  0
  -11.3880    3.6218   -1.6179 H   0  0
   -7.8673    5.4790    0.0420 H   0  0
   -5.5447    0.5667    3.9597 H   0  0
   -6.6854   -0.3074   -0.1164 H   0  0
   -8.8175   -2.7626    4.7288 H   0  0
   -8.8746   -4.8173    0.9349 H   0  0
   -9.9094    5.6053   -1.3798 H   0  0
   -3.4657   -0.6742    3.6430 H   0  0
   -4.5997   -1.5556   -0.4258 H   0  0
   -9.4712   -6.5745    2.4331 H   0  0
   -8.4185   -7.1223    3.7488 H   0  0
   -7.6952   -6.3828    2.3103 H   0  0
   -1.3683   -1.1648    2.6705 H   0  0
   -2.2102   -2.6255    3.2036 H   0  0
    0.1236   -3.1778    2.5297 H   0  0
   -0.1250   -2.4224    0.9690 H   0  0
   -1.1279   -5.2692    3.0309 H   0  0
   -2.7123   -4.7769    2.4637 H   0  0
    0.7901   -5.1034    1.1773 H   0  0
    0.1766   -4.6382   -0.3949 H   0  0
   -2.8047   -6.5299    0.8750 H   0  0
   -1.8311   -7.3281    2.0857 H   0  0
   -1.0471   -6.6431   -0.5802 H   0  0
    0.0370   -7.2247    0.6582 H   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  1  0
  4 10  2  0
  5 11  2  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  2  0
  9 16  2  0
  9 17  1  0
 11 18  1  0
 12 19  2  0
 14 20  2  0
 16 21  1  0
 17 22  2  0
 18 23  2  0
 21 24  2  0
 23 25  1  0
 24 26  1  0
 25 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 31 33  1  0
 32 34  1  0
  7 13  1  0
 15 20  1  0
 19 23  1  0
 22 24  1  0
 33 34  1  0
  6 35  1  0
  6 36  1  0
  8 37  1  0
 11 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  0
 21 49  1  0
 22 50  1  0
 27 51  1  0
 27 52  1  0
 27 53  1  0
 28 54  1  0
 28 55  1  0
 29 56  1  0
 29 57  1  0
 31 58  1  0
 31 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 33 63  1  0
 34 64  1  0
 34 65  1  0
M  END
> <Name>
Trioxifene

> <Molecular_Formula>
C30H31NO3

> <Molecular_Weight>
453.585

> <activityclass>
EstrogenAntagonist

> <cas_rn>
63619-84-1

> <5HT2c_ligands_1>
0.343893

> <5HT2c_ligands_2>
2.01562

> <5HT2c_ligands_3>
1.40251

> <5HT2c_ligands_4>
0.380431

> <5HT2c_ligands_5>
0.393005

$$$$
Nitromifene
  SciTegic09262222253D

 61 64  0  0  0  0            999 V2000
   -2.3510    0.6410    0.9130 C   0  0
   -3.0600    1.2530    1.9160 C   0  0
   -0.8320    0.6860    0.8710 C   0  0
   -3.0310   -0.1130   -0.2210 C   0  0
   -4.5310    1.5950    1.7200 C   0  0
   -2.4900    1.5750    3.1100 N   0  3
   -0.0830   -0.4620    0.5380 C   0  0
   -0.1470    1.8840    1.1620 C   0  0
   -4.0790   -1.0180    0.0450 C   0  0
   -2.6200    0.0770   -1.5570 C   0  0
   -4.9890    2.1950    0.5260 C   0  0
   -5.4580    1.3180    2.7460 C   0  0
   -2.9660    2.5110    3.7220 O   0  0
   -1.5470    0.8910    3.5200 O   0  5
    1.3200   -0.4110    0.4980 C   0  0
    1.2560    1.9310    1.1230 C   0  0
   -4.7090   -1.7090   -1.0030 C   0  0
   -3.2480   -0.6180   -2.6040 C   0  0
   -6.3500    2.4980    0.3580 C   0  0
   -6.8190    1.6240    2.5790 C   0  0
    2.0060    0.7890    0.7920 C   0  0
   -4.3040   -1.5190   -2.3360 C   0  0
   -7.2650    2.2130    1.3850 C   0  0
    3.3310    0.9000    0.7720 O   0  0
   -4.9400   -2.2040   -3.2820 O   0  0
    4.1880   -0.2030    0.4600 C   0  0
   -4.6050   -2.0830   -4.6690 C   0  0
    5.6480    0.2670    0.5260 C   0  0
    6.5890   -0.8370    0.3110 N   0  0
    6.5240   -1.5110   -0.9770 C   0  0
    7.9960   -0.5110    0.5240 C   0  0
    7.7880   -2.3550   -1.0290 C   0  0
    8.8120   -1.3980   -0.4210 C   0  0
   -0.5790   -1.3940    0.3110 H   0  0
   -0.6960    2.7790    1.4180 H   0  0
   -4.4100   -1.1910    1.0590 H   0  0
   -1.8170    0.7620   -1.7910 H   0  0
   -4.2980    2.4300   -0.2710 H   0  0
   -5.1270    0.8650    3.6700 H   0  0
    1.8580   -1.3100    0.2380 H   0  0
    1.7620    2.8580    1.3500 H   0  0
   -5.5130   -2.3940   -0.7790 H   0  0
   -2.9060   -0.4460   -3.6140 H   0  0
   -6.6920    2.9510   -0.5600 H   0  0
   -7.5230    1.4070    3.3700 H   0  0
   -8.3120    2.4460    1.2560 H   0  0
    4.0160   -1.0060    1.1790 H   0  0
    3.9490   -0.5680   -0.5400 H   0  0
   -4.7530   -1.0550   -5.0050 H   0  0
   -5.2610   -2.7360   -5.2450 H   0  0
   -3.5710   -2.3910   -4.8370 H   0  0
    5.8250    1.0480   -0.2140 H   0  0
    5.8400    0.7090    1.5050 H   0  0
    6.5180   -0.7810   -1.7760 H   0  0
    5.6290   -2.1120   -1.0530 H   0  0
    8.2510   -0.6790    1.5610 H   0  0
    8.1820    0.5310    0.3020 H   0  0
    7.6800   -3.2370   -0.4120 H   0  0
    8.0450   -2.6670   -2.0310 H   0  0
    9.2630   -0.7940   -1.1970 H   0  0
    9.6060   -1.9240    0.0900 H   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  2  0
  4 10  1  0
  5 11  2  0
  5 12  1  0
  6 13  2  0
  6 14  1  0
  7 15  1  0
  8 16  2  0
  9 17  1  0
 10 18  2  0
 11 19  1  0
 12 20  2  0
 15 21  2  0
 17 22  2  0
 19 23  2  0
 21 24  1  0
 22 25  1  0
 24 26  1  0
 25 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
 16 21  1  0
 18 22  1  0
 20 23  1  0
 32 33  1  0
  7 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 12 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 26 48  1  0
 27 49  1  0
 27 50  1  0
 27 51  1  0
 28 52  1  0
 28 53  1  0
 30 54  1  0
 30 55  1  0
 31 56  1  0
 31 57  1  0
 32 58  1  0
 32 59  1  0
 33 60  1  0
 33 61  1  0
M  CHG  2   6   1  14  -1
M  END
> <Name>
Nitromifene

> <Molecular_Formula>
C27H28N2O4

> <Molecular_Weight>
444.535

> <activityclass>
EstrogenAntagonist

> <cas_rn>
10448-84-7

> <5HT2c_ligands_1>
1.7131

> <5HT2c_ligands_2>
1.47661

> <5HT2c_ligands_3>
1.2462

> <5HT2c_ligands_4>
2.45994

> <5HT2c_ligands_5>
2.47868

$$$$
Levormeloxifene
  SciTegic09262222253D

 69 73  0  0  1  0            999 V2000
    1.4625   -0.0250    1.3236 C   0  0  3  0  0  0
    2.6895   -0.8561    1.0960 C   0  0
    1.7933    1.3531    1.9844 C   0  0  3  0  0  0
    0.4001   -0.7685    2.1068 C   0  0
    3.9817   -0.2744    1.2432 C   0  0
    2.5936   -2.2251    0.7229 C   0  0
    0.6138    2.3006    2.0246 C   0  0
    3.0834    1.9807    1.3827 C   0  0
    0.6446   -1.2028    3.4264 C   0  0
   -0.8552   -1.0322    1.5238 C   0  0
    4.1487    1.0331    1.5349 O   0  0
    5.1408   -1.0693    1.0843 C   0  0
    3.7564   -3.0079    0.5503 C   0  0
   -0.1376    2.5842    0.8635 C   0  0
    0.2458    2.9154    3.2404 C   0  0
    2.9711    2.3222   -0.1193 C   0  0
    3.5212    3.2373    2.1578 C   0  0
   -0.3494   -1.8825    4.1488 C   0  0
   -1.8475   -1.7117    2.2483 C   0  0
    5.0381   -2.4433    0.7380 C   0  0
   -1.2336    3.4610    0.9184 C   0  0
   -0.8502    3.7921    3.2957 C   0  0
   -1.6103   -2.1422    3.5654 C   0  0
    6.1084   -3.2504    0.5699 O   0  0
   -1.5906    4.0645    2.1343 C   0  0
   -2.5940   -2.7747    4.1972 O   0  0
    7.4472   -2.7753    0.7322 C   0  0
   -2.4715   -3.2279    5.5498 C   0  0
   -3.7875   -3.8845    5.9904 C   0  0
   -4.9265   -2.9713    5.8506 N   0  0
   -4.8670   -1.7326    6.6197 C   0  0
   -6.2315   -3.5448    6.1253 C   0  0
   -6.3127   -1.3080    6.8948 C   0  0
   -7.1680   -2.3465    6.1664 C   0  0
    1.0815    0.1620    0.3181 H   0  0
    2.0643    1.1385    3.0216 H   0  0
    1.6289   -2.6860    0.5688 H   0  0
    1.6013   -1.0147    3.8921 H   0  0
   -1.0637   -0.7119    0.5134 H   0  0
    6.1068   -0.6090    1.2281 H   0  0
    3.6616   -4.0477    0.2736 H   0  0
    0.1199    2.1309   -0.0819 H   0  0
    0.8066    2.7150    4.1418 H   0  0
    2.2823    3.1472   -0.2972 H   0  0
    2.6359    1.4723   -0.7129 H   0  0
    3.9391    2.6287   -0.5165 H   0  0
    3.6272    3.0262    3.2222 H   0  0
    2.8040    4.0511    2.0489 H   0  0
    4.4837    3.6023    1.7986 H   0  0
   -0.1260   -2.1993    5.1565 H   0  0
   -2.8043   -1.9036    1.7854 H   0  0
   -1.8020    3.6707    0.0240 H   0  0
   -1.1237    4.2566    4.2315 H   0  0
   -2.4341    4.7379    2.1760 H   0  0
    7.6545   -1.9805    0.0142 H   0  0
    7.5972   -2.4129    1.7504 H   0  0
    8.1359   -3.5999    0.5492 H   0  0
   -1.6559   -3.9500    5.6161 H   0  0
   -2.2321   -2.3814    6.1967 H   0  0
   -3.7112   -4.2178    7.0259 H   0  0
   -3.9681   -4.7730    5.3841 H   0  0
   -4.3210   -0.9833    6.0645 H   0  0
   -4.3491   -1.8973    7.5544 H   0  0
   -6.5057   -4.2578    5.3613 H   0  0
   -6.2189   -4.0526    7.0809 H   0  0
   -6.5125   -1.3355    7.9569 H   0  0
   -6.5183   -0.3054    6.5476 H   0  0
   -7.3957   -2.0126    5.1637 H   0  0
   -8.0984   -2.5557    6.6747 H   0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  2  5  2  0
  2  6  1  0
  3  7  1  0
  3  8  1  0
  4  9  2  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  2  0
  7 14  2  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  2  0
 12 20  2  0
 14 21  1  0
 15 22  2  0
 18 23  2  0
 20 24  1  0
 21 25  2  0
 23 26  1  0
 24 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 31 33  1  0
 32 34  1  0
  8 11  1  0
 13 20  1  0
 19 23  1  0
 22 25  1  0
 33 34  1  0
  1 35  1  0
  3 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 22 53  1  0
 25 54  1  0
 27 55  1  0
 27 56  1  0
 27 57  1  0
 28 58  1  0
 28 59  1  0
 29 60  1  0
 29 61  1  0
 31 62  1  0
 31 63  1  0
 32 64  1  0
 32 65  1  0
 33 66  1  0
 33 67  1  0
 34 68  1  0
 34 69  1  0
M  END
> <Name>
Levormeloxifene

> <Molecular_Formula>
C30H35NO3

> <Molecular_Weight>
457.617

> <activityclass>
EstrogenAntagonist

> <cas_rn>
78994-23-7

> <5HT2c_ligands_1>
1.45688

> <5HT2c_ligands_2>
1.33969

> <5HT2c_ligands_3>
1.14032

> <5HT2c_ligands_4>
2.06303

> <5HT2c_ligands_5>
1.31569

$$$$
Raloxifene Hydorchloride
  SciTegic09262222253D

 61 65  0  0  0  0            999 V2000
   -2.6642   -3.0608    0.7073 C   0  0
   -1.5428   -3.5377   -0.0443 C   0  0
   -3.6144   -4.0814    0.6745 C   0  0
   -2.8010   -1.7360    1.4070 C   0  0
   -0.2402   -2.8500   -0.2634 C   0  0
   -1.6612   -5.1186   -0.7850 S   0  0
   -3.1969   -5.1786   -0.0637 C   0  0
   -4.8912   -4.0560    1.2965 C   0  0
   -2.0510   -0.4810    1.0270 C   0  0
   -3.5682   -1.6661    2.3407 O   0  0
    0.5490   -2.4378    0.8298 C   0  0
    0.2160   -2.6104   -1.5740 C   0  0
   -4.0472   -6.3038   -0.1983 C   0  0
   -5.7426   -5.1791    1.1668 C   0  0
   -1.8250   -0.1440   -0.3230 C   0  0
   -1.5730    0.3820    2.0330 C   0  0
    1.7699   -1.7780    0.6135 C   0  0
    1.4390   -1.9515   -1.7874 C   0  0
   -5.3243   -6.3077    0.4201 C   0  0
   -1.1130    1.0200   -0.6580 C   0  0
   -0.8660    1.5480    1.6950 C   0  0
    2.2206   -1.5286   -0.6942 C   0  0
   -6.1444   -7.3652    0.3078 O   0  0
   -0.6240    1.8790    0.3510 C   0  0
    3.3692   -0.9030   -0.8779 O   0  0
    0.0560    2.9940    0.1000 O   0  0
    0.4092    3.3974   -1.2274 C   0  0
    1.3150    4.6434   -1.1814 C   0  0
    2.6624    4.4090   -0.6333 N   0  0
    3.4902    3.4963   -1.4398 C   0  0
    2.6986    4.0958    0.8061 C   0  0
    4.9518    3.5104   -0.9609 C   0  0
    4.1395    4.1371    1.3396 C   0  0
    5.0571    3.2062    0.5380 C   0  0
   -5.2382   -3.2076    1.8660 H   0  0
    0.2235   -2.6224    1.8442 H   0  0
   -0.3679   -2.9270   -2.4281 H   0  0
   -3.7208   -7.1586   -0.7728 H   0  0
   -6.7140   -5.1746    1.6391 H   0  0
   -2.1970   -0.7750   -1.1160 H   0  0
   -1.7440    0.1530    3.0750 H   0  0
    2.3638   -1.4610    1.4585 H   0  0
    1.7776   -1.7702   -2.7968 H   0  0
   -0.9500    1.2390   -1.7030 H   0  0
   -0.5040    2.1960    2.4800 H   0  0
   -5.8963   -8.1548   -0.1932 H   0  0
    3.7156   -0.7064   -1.7595 H   0  0
    0.8972    2.5721   -1.7455 H   0  0
   -0.5039    3.6422   -1.7728 H   0  0
    1.4188    5.0396   -2.1922 H   0  0
    0.8258    5.4293   -0.6045 H   0  0
    3.4490    3.7926   -2.4882 H   0  0
    3.0916    2.4831   -1.3753 H   0  0
    2.0848    4.8123    1.3540 H   0  0
    2.2795    3.1058    0.9802 H   0  0
    5.5372    2.7865   -1.5294 H   0  0
    5.3891    4.4886   -1.1630 H   0  0
    4.1555    3.8583    2.3944 H   0  0
    4.5190    5.1580    1.2839 H   0  0
    4.7702    2.1694    0.7198 H   0  0
    6.0891    3.3101    0.8755 H   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  1  0
  3  8  2  0
  4  9  1  0
  4 10  2  0
  5 11  2  0
  5 12  1  0
  7 13  2  0
  8 14  1  0
  9 15  2  0
  9 16  1  0
 11 17  1  0
 12 18  2  0
 13 19  1  0
 15 20  1  0
 16 21  2  0
 17 22  2  0
 19 23  1  0
 20 24  2  0
 22 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
 32 34  1  0
  6  7  1  0
 14 19  2  0
 18 22  1  0
 21 24  1  0
 33 34  1  0
  8 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 27 48  1  0
 27 49  1  0
 28 50  1  0
 28 51  1  0
 30 52  1  0
 30 53  1  0
 31 54  1  0
 31 55  1  0
 32 56  1  0
 32 57  1  0
 33 58  1  0
 33 59  1  0
 34 60  1  0
 34 61  1  0
M  END
> <Name>
Raloxifene Hydorchloride

> <Molecular_Formula>
C28H28NO4SCl

> <Molecular_Weight>
510.058

> <activityclass>
EstrogenAntagonist

> <cas_rn>
82640-04-8

> <5HT2c_ligands_1>
3.00748

> <5HT2c_ligands_2>
1.01399

> <5HT2c_ligands_3>
2.75528

> <5HT2c_ligands_4>
1.23528

> <5HT2c_ligands_5>
2.82052

$$$$
(p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanol
  SciTegic09262222253D

 64 66  0  0  1  0            999 V2000
   -1.7380   -2.8530    0.9790 C   0  0  2  0  0  0
   -1.2280   -1.4110    1.0170 C   0  0
   -1.8300   -3.4080    2.4020 C   0  0
   -0.8050   -3.7000    0.0370 C   0  0
   -3.0450   -2.9700    0.3990 O   0  0
   -0.0320   -1.1140    1.7100 C   0  0
   -1.9010   -0.3470    0.3690 C   0  0
   -1.1620   -4.5940    2.7940 C   0  0
   -2.6020   -2.7280    3.3770 C   0  0
   -0.6700   -3.1920   -1.3770 C   0  0
    0.4720    0.1950    1.7580 C   0  0
   -1.3920    0.9600    0.4130 C   0  0
   -1.2650   -5.0800    4.1080 C   0  0
   -2.7040   -3.2130    4.6900 C   0  0
    0.3940   -2.3410   -1.7320 C   0  0
   -1.6080   -3.5630   -2.3600 C   0  0
   -0.2020    1.2470    1.1020 C   0  0
   -2.0350   -4.3910    5.0560 C   0  0
    0.5120   -1.8620   -3.0470 C   0  0
   -1.4890   -3.0830   -3.6740 C   0  0
    0.2300    2.5030    1.0940 O   0  0
   -0.4240   -2.2250   -4.0320 C   0  0
    1.4130    2.9150    1.7880 C   0  0
   -0.2570   -1.7380   -5.2580 O   0  0
    1.6890    4.3970    1.4930 C   0  0
   -1.1470   -2.0540   -6.3330 C   0  0
    1.7680    4.6970    0.0500 N   0  0
    1.8370    6.1470   -0.2050 C   0  0
    2.7590    3.8930   -0.6970 C   0  0
    1.5700    6.5090   -1.6740 C   0  0
    4.2040    4.1000   -0.2180 C   0  0
   -1.1560   -4.7330   -0.0150 H   0  0
    0.1970   -3.7680    0.4670 H   0  0
   -3.6900   -2.4270    0.8840 H   0  0
    0.5140   -1.8980    2.2140 H   0  0
   -2.8190   -0.5140   -0.1760 H   0  0
   -0.5580   -5.1590    2.1010 H   0  0
   -3.1260   -1.8190    3.1170 H   0  0
    1.3850    0.3730    2.3060 H   0  0
   -1.9240    1.7530   -0.0920 H   0  0
   -0.7500   -5.9870    4.3890 H   0  0
   -3.2970   -2.6800    5.4180 H   0  0
    1.1270   -2.0500   -0.9940 H   0  0
   -2.4280   -4.2200   -2.1070 H   0  0
   -2.1130   -4.7660    6.0660 H   0  0
    1.3330   -1.2080   -3.3010 H   0  0
   -2.2280   -3.3850   -4.4010 H   0  0
    2.2600    2.2990    1.4790 H   0  0
    1.2670    2.7670    2.8600 H   0  0
    2.6070    4.7140    1.9880 H   0  0
    0.8830    4.9850    1.9340 H   0  0
   -1.1470   -3.1290   -6.5180 H   0  0
   -0.8030   -1.5450   -7.2330 H   0  0
   -2.1560   -1.7090   -6.1010 H   0  0
    2.8000    6.5400    0.1200 H   0  0
    1.0800    6.6490    0.3990 H   0  0
    2.6890    4.1170   -1.7600 H   0  0
    2.5000    2.8380   -0.6200 H   0  0
    0.6420    6.0610   -2.0310 H   0  0
    2.3790    6.1840   -2.3280 H   0  0
    1.4810    7.5890   -1.7900 H   0  0
    4.3300    3.8050    0.8240 H   0  0
    4.5200    5.1390   -0.3170 H   0  0
    4.8900    3.4940   -0.8100 H   0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  1  5  1  0
  2  6  2  0
  2  7  1  0
  3  8  2  0
  3  9  1  0
  4 10  1  0
  6 11  1  0
  7 12  2  0
  8 13  1  0
  9 14  2  0
 10 15  2  0
 10 16  1  0
 11 17  2  0
 13 18  2  0
 15 19  1  0
 16 20  2  0
 17 21  1  0
 19 22  2  0
 21 23  1  0
 22 24  1  0
 23 25  1  0
 24 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 28 30  1  0
 29 31  1  0
 12 17  1  0
 14 18  1  0
 20 22  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 23 48  1  0
 23 49  1  0
 25 50  1  0
 25 51  1  0
 26 52  1  0
 26 53  1  0
 26 54  1  0
 28 55  1  0
 28 56  1  0
 29 57  1  0
 29 58  1  0
 30 59  1  0
 30 60  1  0
 30 61  1  0
 31 62  1  0
 31 63  1  0
 31 64  1  0
M  END
> <Name>
(p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanol

> <Molecular_Formula>
C27H33NO3

> <Molecular_Weight>
419.568

> <activityclass>
EstrogenAntagonist

> <cas_rn>
67-98-1

> <nsc>
19857

> <5HT2c_ligands_1>
2.5778

> <5HT2c_ligands_2>
2.57764

> <5HT2c_ligands_3>
3.04676

> <5HT2c_ligands_4>
2.9571

> <5HT2c_ligands_5>
3.42434

$$$$
FLURAZEPAM
  SciTegic09262222253D

 50 52  0  0  0  0            999 V2000
    3.1590   -1.4140    1.5360 C   0  0
    2.6210   -2.3910    0.6760 C   0  0
    1.8190   -1.9970   -0.4160 C   0  0
    2.8640   -0.0520    1.3250 C   0  0
    1.5170   -0.6270   -0.6540 C   0  0
    2.0090    0.3720    0.2660 C   0  0
    1.6850    1.7050    0.1940 N   0  0
    0.6840   -0.2860   -1.8750 C   0  0
    1.6670    2.4120   -0.9990 C   0  0
    0.9070    0.7600   -2.6000 N   0  0
    1.9710    1.7330   -2.3100 C   0  0
   -0.4580   -1.2020   -2.2890 C   0  0
   -0.6770   -1.5060   -3.6530 C   0  0
   -1.7370   -2.3410   -4.0420 C   0  0
   -2.5930   -2.8850   -3.0740 C   0  0
   -2.3900   -2.5960   -1.7170 C   0  0
   -1.3330   -1.7600   -1.3240 C   0  0
    1.2930    2.4540    1.4390 C   0  0
    1.3950    3.5920   -1.0080 O   0  0
    2.9400   -4.0510    0.9550 Cl  0  0
   -0.2420    2.5040    1.6080 C   0  0
   -0.8540    1.1600    1.7150 N   0  0
   -0.6270    0.5620    3.0470 C   0  0
   -0.7130   -0.9700    3.0310 C   0  0
   -2.2750    1.1330    1.3190 C   0  0
   -2.4910    1.4770   -0.1650 C   0  0
   -1.1850   -1.4970   -0.0280 F   0  0
    3.7980   -1.6960    2.3600 H   0  0
    1.4350   -2.7580   -1.0820 H   0  0
    3.3140    0.6580    2.0050 H   0  0
    2.9450    1.2420   -2.2860 H   0  0
    2.0010    2.4660   -3.1160 H   0  0
   -0.0300   -1.1000   -4.4170 H   0  0
   -1.8930   -2.5640   -5.0870 H   0  0
   -3.4080   -3.5280   -3.3740 H   0  0
   -3.0530   -3.0180   -0.9760 H   0  0
    1.6800    3.4730    1.3870 H   0  0
    1.7520    2.0470    2.3370 H   0  0
   -0.6420    3.0340    0.7450 H   0  0
   -0.5200    3.1040    2.4760 H   0  0
   -1.3260    0.9870    3.7690 H   0  0
    0.3700    0.8160    3.4040 H   0  0
    0.0060   -1.3970    2.3310 H   0  0
   -1.7050   -1.3290    2.7590 H   0  0
   -0.4830   -1.3730    4.0170 H   0  0
   -2.8500    1.8090    1.9540 H   0  0
   -2.6790    0.1360    1.4860 H   0  0
   -1.7800    0.9640   -0.8100 H   0  0
   -2.3950    2.5460   -0.3540 H   0  0
   -3.4940    1.1900   -0.4820 H   0  0
 12 13  2  0
  3  5  2  0
 13 14  1  0
  6  7  1  0
 14 15  2  0
  1  2  2  0
 15 16  1  0
  5  8  1  0
 16 17  2  0
 17 12  1  0
  6  4  2  0
  7 18  1  0
  7  9  1  0
  9 19  2  0
  4  1  1  0
  2 20  1  0
  8 10  2  0
 18 21  1  0
 21 22  1  0
  9 11  1  0
 22 23  1  0
 10 11  1  0
 23 24  1  0
  2  3  1  0
 22 25  1  0
  8 12  1  0
 25 26  1  0
  5  6  1  0
 17 27  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
 11 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 18 37  1  0
 18 38  1  0
 21 39  1  0
 21 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 24 45  1  0
 25 46  1  0
 25 47  1  0
 26 48  1  0
 26 49  1  0
 26 50  1  0
M  END
> <Name>
FLURAZEPAM

> <LogP>
3.54

> <Molecular_Formula>
C21H23N3OFCl

> <Molecular_Weight>
387.887

> <activityclass>
Benzodiazepine

> <cas_rn>
17617-23-1

> <5HT2c_ligands_1>
2.8517

> <5HT2c_ligands_2>
2.13304

> <5HT2c_ligands_3>
1.62678

> <5HT2c_ligands_4>
2.54016

> <5HT2c_ligands_5>
3.98198

$$$$
Toremifene
  SciTegic09262222253D

 57 59  0  0  0  0            999 V2000
   -0.1020   -1.7640   -0.8880 C   0  0
    1.1290   -2.3660   -0.9130 C   0  0
   -0.3950   -0.5880    0.0190 C   0  0
   -1.2650   -2.2230   -1.7540 C   0  0
    1.5350   -3.3420   -2.0030 C   0  0
    2.1780   -2.0930    0.1660 C   0  0
   -1.4700   -0.6440    0.9260 C   0  0
    0.3950    0.5770   -0.0390 C   0  0
   -2.0400   -1.2790   -2.4630 C   0  0
   -1.5950   -3.5910   -1.8580 C   0  0
    1.3200   -3.0320   -3.3640 C   0  0
    2.1450   -4.5690   -1.6700 C   0  0
    3.4590   -1.4470   -0.3910 C   0  0
   -1.7460    0.4460    1.7670 C   0  0
    0.1150    1.6670    0.8010 C   0  0
   -3.1150   -1.6970   -3.2670 C   0  0
   -2.6660   -4.0080   -2.6670 C   0  0
    1.6970   -3.9380   -4.3700 C   0  0
    2.5230   -5.4740   -2.6770 C   0  0
    4.6510   -1.1420    0.9070 Cl  0  0
   -0.9610    1.6130    1.7170 C   0  0
   -3.4260   -3.0610   -3.3720 C   0  0
    2.2980   -5.1580   -4.0270 C   0  0
   -1.2760    2.6080    2.5400 O   0  0
   -0.6050    3.8730    2.5100 C   0  0
   -1.2030    4.7790    3.5970 C   0  0
   -0.7440    6.1750    3.4850 N   0  0
   -1.4920    7.0570    4.3880 C   0  0
    0.7030    6.3310    3.6740 C   0  0
    1.7860   -1.4760    0.9710 H   0  0
    2.4330   -3.0300    0.6600 H   0  0
   -2.0920   -1.5270    0.9820 H   0  0
    1.2210    0.6410   -0.7320 H   0  0
   -1.8150   -0.2240   -2.3980 H   0  0
   -1.0280   -4.3340   -1.3160 H   0  0
    0.8660   -2.0950   -3.6490 H   0  0
    2.3280   -4.8320   -0.6370 H   0  0
    3.2470   -0.4920   -0.8700 H   0  0
    3.9440   -2.0870   -1.1280 H   0  0
   -2.5710    0.3850    2.4600 H   0  0
    0.7420    2.5440    0.7300 H   0  0
   -3.7010   -0.9670   -3.8050 H   0  0
   -2.9040   -5.0570   -2.7460 H   0  0
    1.5240   -3.6960   -5.4100 H   0  0
    2.9870   -6.4120   -2.4130 H   0  0
   -4.2480   -3.3820   -3.9950 H   0  0
    2.5870   -5.8560   -4.8000 H   0  0
    0.4620    3.7160    2.6870 H   0  0
   -0.7380    4.3220    1.5220 H   0  0
   -2.2920    4.7570    3.5020 H   0  0
   -0.9670    4.3890    4.5910 H   0  0
   -1.1970    8.0980    4.2320 H   0  0
   -1.3020    6.7900    5.4310 H   0  0
   -2.5660    6.9790    4.1970 H   0  0
    0.9880    7.3820    3.5750 H   0  0
    1.0050    5.9810    4.6640 H   0  0
    1.2550    5.7730    2.9200 H   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  2  0
  4 10  1  0
  5 11  2  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  2  0
  9 16  1  0
 10 17  2  0
 11 18  1  0
 12 19  2  0
 13 20  1  0
 14 21  2  0
 16 22  2  0
 18 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 15 21  1  0
 17 22  1  0
 19 23  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 22 46  1  0
 23 47  1  0
 25 48  1  0
 25 49  1  0
 26 50  1  0
 26 51  1  0
 28 52  1  0
 28 53  1  0
 28 54  1  0
 29 55  1  0
 29 56  1  0
 29 57  1  0
M  END
> <Name>
Toremifene

> <Molecular_Formula>
C26H28NOCl

> <Molecular_Weight>
405.97

> <activityclass>
EstrogenAntagonist

> <cas_rn>
89778-26-7

> <5HT2c_ligands_1>
2.98875

> <5HT2c_ligands_2>
3.25666

> <5HT2c_ligands_3>
2.7886

> <5HT2c_ligands_4>
2.92603

> <5HT2c_ligands_5>
2.0612

$$$$
PIMOZIDE
  SciTegic09262222253D

 63 67  0  0  0  0            999 V2000
    5.8595   -0.4397   -1.4060 C   0  0
    7.1628   -0.1597   -0.9082 C   0  0
    7.3410    0.3167    0.4174 C   0  0
    4.7176   -0.2443   -0.5860 C   0  0
    4.9148    0.2353    0.7298 C   0  0
    6.1924    0.5039    1.2183 C   0  0
    6.1274    0.9786    2.6067 N   0  0
    4.7325    0.9625    2.8543 C   0  0
    3.9248    0.5298    1.7735 N   0  0
    4.2664    1.2970    3.9188 O   0  0
    2.4583    0.4184    1.7393 C   0  0
    1.8246    1.3311    0.6744 C   0  0
    0.3019    1.1464    0.5900 C   0  0
   -0.0598   -0.2666    0.3834 N   0  0
    0.4524   -1.1220    1.4677 C   0  0
    1.9829   -1.0332    1.5565 C   0  0
   -1.5013   -0.4181    0.1275 C   0  0
   -1.9236   -1.8499   -0.2582 C   0  0
   -1.0840   -2.5444   -1.3522 C   0  0
   -1.2762   -1.9891   -2.7920 C   0  0
   -0.8765   -2.9747   -3.8662 C   0  0
   -0.5932   -0.6643   -3.0330 C   0  0
   -1.3297    0.4266   -3.5420 C   0  0
   -0.7072    1.6654   -3.7692 C   0  0
    0.6606    1.8260   -3.4934 C   0  0
    1.4050    0.7464   -2.9913 C   0  0
    0.7820   -0.4906   -2.7596 C   0  0
   -1.7021   -3.1591   -4.9963 C   0  0
   -1.3447   -4.0730   -6.0021 C   0  0
   -0.1561   -4.8126   -5.8896 C   0  0
    0.6745   -4.6381   -4.7703 C   0  0
    0.3163   -3.7247   -3.7645 C   0  0
    1.2510    2.9991   -3.7083 F   0  0
    0.1831   -5.6778   -6.8424 F   0  0
    5.7368   -0.8034   -2.4154 H   0  0
    8.0230   -0.3112   -1.5438 H   0  0
    8.3291    0.5292    0.7998 H   0  0
    3.7307   -0.4590   -0.9667 H   0  0
    6.9029    1.2345    3.1843 H   0  0
    2.0804    0.7536    2.7072 H   0  0
    2.0531    2.3754    0.8919 H   0  0
    2.2524    1.1272   -0.3058 H   0  0
   -0.0828    1.7491   -0.2342 H   0  0
   -0.1725    1.5146    1.5015 H   0  0
   -0.0046   -0.8288    2.4141 H   0  0
    0.1790   -2.1607    1.2895 H   0  0
    2.3367   -1.6520    2.3824 H   0  0
    2.4081   -1.4633    0.6492 H   0  0
   -2.0602   -0.1004    1.0089 H   0  0
   -1.7935    0.2621   -0.6718 H   0  0
   -2.9705   -1.8377   -0.5619 H   0  0
   -1.8993   -2.4720    0.6369 H   0  0
   -0.0332   -2.5640   -1.0632 H   0  0
   -1.3933   -3.5911   -1.3454 H   0  0
   -2.3548   -1.8379   -2.8890 H   0  0
   -2.3816    0.3169   -3.7618 H   0  0
   -1.2844    2.4924   -4.1571 H   0  0
    2.4579    0.8630   -2.7802 H   0  0
    1.3724   -1.3057   -2.3681 H   0  0
   -2.6189   -2.5967   -5.0965 H   0  0
   -1.9870   -4.2044   -6.8610 H   0  0
    1.5899   -5.2050   -4.6797 H   0  0
    0.9677   -3.6052   -2.9118 H   0  0
 15 16  1  0
  6  7  1  0
 14 17  1  0
  7  8  1  0
 17 18  1  0
  8  9  1  0
 18 19  1  0
  9  5  1  0
 19 20  1  0
  4  1  2  0
 20 21  1  0
  8 10  2  0
 20 22  1  0
  5  6  2  0
 22 23  2  0
  9 11  1  0
 23 24  1  0
 11 12  1  0
 24 25  2  0
 25 26  1  0
  2  3  2  0
 26 27  2  0
 27 22  1  0
  3  6  1  0
 21 28  2  0
  1  2  1  0
 28 29  1  0
  5  4  1  0
 29 30  2  0
 11 16  1  0
 30 31  1  0
 12 13  1  0
 31 32  2  0
 32 21  1  0
 13 14  1  0
 25 33  1  0
 14 15  1  0
 30 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  7 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 19 53  1  0
 19 54  1  0
 20 55  1  0
 23 56  1  0
 24 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 31 62  1  0
 32 63  1  0
M  END
> <Name>
PIMOZIDE

> <LogP>
6.3

> <Molecular_Formula>
C28H29N3OF2

> <Molecular_Weight>
461.557

> <activityclass>
Antipsychotic

> <cas_rn>
2062-78-4

> <nsc>
170984

> <5HT2c_ligands_1>
3.04783

> <5HT2c_ligands_2>
3.32121

> <5HT2c_ligands_3>
2.7126

> <5HT2c_ligands_4>
3.29686

> <5HT2c_ligands_5>
1.32029

$$$$
Ametik hydrochloride
  SciTegic09262222253D

 56 57  0  0  0  0            999 V2000
   -2.6760    0.6520   -2.0020 C   0  0
   -1.6030    0.8490   -1.1540 N   0  0
   -2.9960    1.5600   -2.7380 O   0  0
   -3.4630   -0.6490   -2.0480 C   0  0
   -0.8720    2.1430   -1.1520 C   0  0
   -3.1830   -1.7390   -1.1990 C   0  0
   -4.5160   -0.7790   -2.9710 C   0  0
    0.2820    2.1720   -0.1960 C   0  0
   -3.9280   -2.9390   -1.2600 C   0  0
   -5.2780   -1.9630   -3.0570 C   0  0
    0.0890    2.5740    1.1390 C   0  0
    1.5690    1.7950   -0.6230 C   0  0
   -3.6630   -3.9680   -0.4590 O   0  0
   -4.9870   -3.0470   -2.2030 C   0  0
   -6.2790   -2.1130   -3.9220 O   0  0
    1.1710    2.6010    2.0340 C   0  0
    2.6500    1.8220    0.2740 C   0  0
   -2.6200   -3.9470    0.5210 C   0  0
   -5.7590   -4.1230   -2.3560 O   0  0
   -6.6650   -1.0860   -4.8400 C   0  0
    2.4610    2.2270    1.6160 C   0  0
   -5.6240   -5.3210   -1.5850 C   0  0
    3.4420    2.2740    2.5130 O   0  0
    4.7920    1.9200    2.1930 C   0  0
    5.6600    2.0770    3.4510 C   0  0
    7.0360    1.5920    3.2540 N   0  0
    7.7990    2.3940    2.2910 C   0  0
    7.7510    1.4790    4.5280 C   0  0
   -1.3010    0.1280   -0.5310 H   0  0
   -0.5190    2.3500   -2.1640 H   0  0
   -1.5740    2.9430   -0.9080 H   0  0
   -2.3820   -1.6630   -0.4820 H   0  0
   -4.7390    0.0500   -3.6260 H   0  0
   -0.8940    2.8650    1.4820 H   0  0
    1.7320    1.4820   -1.6440 H   0  0
    1.0080    2.9120    3.0550 H   0  0
    3.6240    1.5280   -0.0870 H   0  0
   -1.6520   -3.8040    0.0380 H   0  0
   -2.6110   -4.9040    1.0420 H   0  0
   -2.8020   -3.1550    1.2490 H   0  0
   -6.9820   -0.1940   -4.2970 H   0  0
   -7.5030   -1.4470   -5.4370 H   0  0
   -5.8370   -0.8480   -5.5100 H   0  0
   -4.6420   -5.7670   -1.7460 H   0  0
   -6.3810   -6.0320   -1.9170 H   0  0
   -5.7910   -5.1130   -0.5270 H   0  0
    5.1470    2.5720    1.3930 H   0  0
    4.8180    0.8860    1.8430 H   0  0
    5.1920    1.5030    4.2530 H   0  0
    5.6760    3.1170    3.7790 H   0  0
    7.8780    3.4290    2.6280 H   0  0
    7.3250    2.3790    1.3110 H   0  0
    8.8050    1.9900    2.1740 H   0  0
    7.2130    0.8210    5.2110 H   0  0
    7.8570    2.4580    4.9980 H   0  0
    8.7450    1.0580    4.3710 H   0  0
  1  2  1  0
  1  3  2  0
  1  4  1  0
  2  5  1  0
  4  6  2  0
  4  7  1  0
  5  8  1  0
  6  9  1  0
  7 10  2  0
  8 11  2  0
  8 12  1  0
  9 13  1  0
  9 14  2  0
 10 15  1  0
 10 14  1  0
 11 16  1  0
 12 17  2  0
 13 18  1  0
 14 19  1  0
 15 20  1  0
 16 21  2  0
 17 21  1  0
 19 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
  2 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  7 33  1  0
 11 34  1  0
 12 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 20 41  1  0
 20 42  1  0
 20 43  1  0
 22 44  1  0
 22 45  1  0
 22 46  1  0
 24 47  1  0
 24 48  1  0
 25 49  1  0
 25 50  1  0
 27 51  1  0
 27 52  1  0
 27 53  1  0
 28 54  1  0
 28 55  1  0
 28 56  1  0
M  END
> <Name>
Ametik hydrochloride

> <Molecular_Formula>
C21H28N2O5

> <Molecular_Weight>
388.469

> <cas_rn>
554-92-7

> <nsc>
37882

> <5HT2c_ligands_1>
2.56423

> <5HT2c_ligands_2>
3.21533

> <5HT2c_ligands_3>
0.918413

> <5HT2c_ligands_4>
3.20023

> <5HT2c_ligands_5>
3.07619

$$$$
Tamoxifen
  SciTegic09262222253D

 57 59  0  0  0  0            999 V2000
    1.4580    1.9030   -0.3690 C   0  0
    2.3430    2.2340    0.6230 C   0  0
    0.7150    0.5770   -0.3940 C   0  0
    1.1620    2.8390   -1.5260 C   0  0
    2.4160    1.4720    1.9350 C   0  0
    3.3260    3.3950    0.4670 C   0  0
    1.3960   -0.6350   -0.1600 C   0  0
   -0.6690    0.5390   -0.6600 C   0  0
    0.7800    4.1760   -1.2880 C   0  0
    1.2560    2.3770   -2.8560 C   0  0
    1.2380    1.1430    2.6420 C   0  0
    3.6630    1.0900    2.4720 C   0  0
    3.1260    4.5100    1.5040 C   0  0
    0.7040   -1.8570   -0.1800 C   0  0
   -1.3580   -0.6850   -0.6830 C   0  0
    0.5070    5.0400   -2.3620 C   0  0
    0.9800    3.2400   -3.9300 C   0  0
    1.3070    0.4380    3.8550 C   0  0
    3.7310    0.3880    3.6870 C   0  0
   -0.6770   -1.8990   -0.4410 C   0  0
    0.6070    4.5720   -3.6830 C   0  0
    2.5540    0.0600    4.3770 C   0  0
   -1.2730   -3.0880   -0.4440 O   0  0
   -2.6760   -3.2420   -0.6830 C   0  0
   -3.0310   -4.7350   -0.6220 C   0  0
   -4.4320   -4.9970   -0.9910 N   0  0
   -5.3960   -4.4510   -0.0280 C   0  0
   -4.6680   -6.4270   -1.2160 C   0  0
    3.2970    3.8310   -0.5290 H   0  0
    4.3440    3.0160    0.5490 H   0  0
    2.4590   -0.6390    0.0360 H   0  0
   -1.2170    1.4510   -0.8480 H   0  0
    0.6930    4.5480   -0.2780 H   0  0
    1.5420    1.3550   -3.0620 H   0  0
    0.2690    1.4320    2.2610 H   0  0
    4.5830    1.3280    1.9590 H   0  0
    3.2890    4.1480    2.5190 H   0  0
    2.1210    4.9270    1.4560 H   0  0
    3.8300    5.3250    1.3330 H   0  0
    1.2430   -2.7750    0.0070 H   0  0
   -2.4180   -0.6740   -0.8900 H   0  0
    0.2190    6.0630   -2.1720 H   0  0
    1.0560    2.8800   -4.9460 H   0  0
    0.4000    0.1870    4.3850 H   0  0
    4.6910    0.0990    4.0900 H   0  0
    0.3970    5.2360   -4.5090 H   0  0
    2.6080   -0.4820    5.3100 H   0  0
   -2.9180   -2.8360   -1.6680 H   0  0
   -3.2250   -2.6790    0.0740 H   0  0
   -2.8270   -5.1380    0.3710 H   0  0
   -2.3760   -5.2640   -1.3160 H   0  0
   -5.2960   -3.3690    0.0500 H   0  0
   -5.2450   -4.8900    0.9600 H   0  0
   -6.4160   -4.6620   -0.3500 H   0  0
   -4.5010   -6.9940   -0.2990 H   0  0
   -3.9990   -6.8060   -1.9890 H   0  0
   -5.6940   -6.5950   -1.5490 H   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  2  5  1  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  2  0
  4 10  1  0
  5 11  2  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  2  0
  9 16  1  0
 10 17  2  0
 11 18  1  0
 12 19  2  0
 14 20  2  0
 16 21  2  0
 18 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 15 20  1  0
 17 21  1  0
 19 22  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 21 46  1  0
 22 47  1  0
 24 48  1  0
 24 49  1  0
 25 50  1  0
 25 51  1  0
 27 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
 28 56  1  0
 28 57  1  0
M  END
> <Name>
Tamoxifen

> <Molecular_Formula>
C26H29NO

> <Molecular_Weight>
371.525

> <activityclass>
EstrogenAntagonist

> <cas_rn>
10540-29-1

> <5HT2c_ligands_1>
2.71356

> <5HT2c_ligands_2>
2.93391

> <5HT2c_ligands_3>
2.5116

> <5HT2c_ligands_4>
2.70124

> <5HT2c_ligands_5>
0.789928

$$$$
Enclomiphene
  SciTegic09262222253D

 57 59  0  0  0  0            999 V2000
    3.4570   -0.1960    0.8730 C   0  0
    1.9710   -0.1290    0.5620 C   0  0
    4.3010   -0.9330   -0.1540 C   0  0
    4.0050    0.3770    1.9900 C   0  0
    1.2700   -1.2920    0.1820 C   0  0
    1.2710    1.0920    0.6420 C   0  0
    5.2060   -1.9430    0.2410 C   0  0
    4.1810   -0.6190   -1.5250 C   0  0
    3.1600    0.8730    3.1500 C   0  0
    5.7310    0.5830    2.1660 Cl  0  0
   -0.1030   -1.2350   -0.1070 C   0  0
   -0.1020    1.1460    0.3550 C   0  0
    5.9820   -2.6180   -0.7170 C   0  0
    4.9550   -1.2980   -2.4820 C   0  0
    3.4140    2.1330    3.7350 C   0  0
    2.1120    0.0810    3.6690 C   0  0
   -0.8050   -0.0120   -0.0230 C   0  0
    5.8560   -2.2950   -2.0780 C   0  0
    2.6320    2.5940    4.8070 C   0  0
    1.3260    0.5450    4.7370 C   0  0
   -2.1030    0.1080   -0.2840 O   0  0
    1.5860    1.8020    5.3060 C   0  0
   -2.9120   -1.0050   -0.6810 C   0  0
   -4.3510   -0.5270   -0.9310 C   0  0
   -4.4310    0.5960   -1.8870 N   0  0
   -5.7880    1.1560   -2.0170 C   0  0
   -3.7980    0.3460   -3.1960 C   0  0
   -6.2530    1.8780   -0.7440 C   0  0
   -4.4310   -0.8240   -3.9670 C   0  0
    1.7820   -2.2410    0.1090 H   0  0
    1.7840    2.0010    0.9230 H   0  0
    5.3090   -2.2090    1.2820 H   0  0
    3.4940    0.1470   -1.8540 H   0  0
   -0.6050   -2.1470   -0.3940 H   0  0
   -0.6220    2.0900    0.4250 H   0  0
    6.6740   -3.3860   -0.4060 H   0  0
    4.8560   -1.0510   -3.5290 H   0  0
    4.2110    2.7610    3.3640 H   0  0
    1.9010   -0.8940    3.2530 H   0  0
    6.4520   -2.8150   -2.8130 H   0  0
    2.8350    3.5590    5.2480 H   0  0
    0.5220   -0.0660    5.1210 H   0  0
    0.9830    2.1580    6.1280 H   0  0
   -2.9060   -1.7550    0.1110 H   0  0
   -2.4950   -1.4620   -1.5800 H   0  0
   -4.7670   -0.2180    0.0260 H   0  0
   -4.9660   -1.3560   -1.2810 H   0  0
   -6.4920    0.3700   -2.2930 H   0  0
   -5.8000    1.8850   -2.8280 H   0  0
   -2.7330    0.1590   -3.0560 H   0  0
   -3.8520    1.2520   -3.8000 H   0  0
   -5.5290    2.6300   -0.4280 H   0  0
   -6.4110    1.1890    0.0850 H   0  0
   -7.2000    2.3880   -0.9200 H   0  0
   -5.4920   -0.6580   -4.1500 H   0  0
   -4.3220   -1.7660   -3.4300 H   0  0
   -3.9470   -0.9460   -4.9360 H   0  0
  1  2  1  0
  1  3  1  0
  1  4  2  0
  2  5  2  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  6 12  2  0
  7 13  1  0
  8 14  2  0
  9 15  2  0
  9 16  1  0
 11 17  2  0
 13 18  2  0
 15 19  1  0
 16 20  2  0
 17 21  1  0
 19 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 26 28  1  0
 27 29  1  0
 12 17  1  0
 14 18  1  0
 20 22  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 22 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
 24 47  1  0
 26 48  1  0
 26 49  1  0
 27 50  1  0
 27 51  1  0
 28 52  1  0
 28 53  1  0
 28 54  1  0
 29 55  1  0
 29 56  1  0
 29 57  1  0
M  END
> <Name>
Enclomiphene

> <Molecular_Formula>
C26H28NOCl

> <Molecular_Weight>
405.97

> <activityclass>
EstrogenAntagonist

> <cas_rn>
15690-57-0

> <5HT2c_ligands_1>
2.88797

> <5HT2c_ligands_2>
0.0644199

> <5HT2c_ligands_3>
2.6974

> <5HT2c_ligands_4>
3.1458

> <5HT2c_ligands_5>
1.10661

$$$$
Acrichine
  SciTegic09262222253D

 58 60  0  0  1  0            999 V2000
    0.5540    0.5690    1.5040 N   0  0
   -0.3060    1.3670    0.5860 C   0  0  3  0  0  0
    0.7500   -0.7730    1.3530 C   0  0
    0.3370    2.7470    0.3130 C   0  0
   -1.7130    1.4950    1.1980 C   0  0
    0.3450   -1.6840    2.3950 C   0  0
    1.3590   -1.3310    0.1690 C   0  0
   -0.3440    3.5830   -0.7900 C   0  0
    0.5180   -3.0950    2.2080 C   0  0
   -0.2370   -1.2270    3.6180 C   0  0
    1.4830   -2.7550    0.0430 C   0  0
    1.8590   -0.5120   -0.8880 C   0  0
    0.1360    3.2810   -2.2250 C   0  0
    1.0650   -3.5910    1.0500 N   0  0
    0.1210   -3.9980    3.2250 C   0  0
   -0.6320   -2.1320    4.6310 C   0  0
    2.0470   -3.3190   -1.1290 C   0  0
    2.4270   -1.0860   -2.0460 C   0  0
   -0.0880    1.8900   -2.6550 N   0  0
   -0.4470   -3.5230    4.4250 C   0  0
   -1.1740   -1.6130    5.7550 O   0  0
    2.5140   -2.4890   -2.1730 C   0  0
   -1.5130    1.5310   -2.7880 C   0  0
    0.7530    1.5120   -3.8070 C   0  0
   -1.5970   -2.4400    6.8430 C   0  0
    3.1880   -3.1820   -3.5880 Cl  0  0
   -1.7290    0.0250   -2.9930 C   0  0
    0.3620    2.2230   -5.1120 C   0  0
    0.9410    1.0280    2.3050 H   0  0
   -0.4180    0.8300   -0.3530 H   0  0
    1.3930    2.6390    0.0620 H   0  0
    0.3180    3.3230    1.2400 H   0  0
   -1.6940    2.0560    2.1330 H   0  0
   -2.1450    0.5150    1.4080 H   0  0
   -2.4000    2.0020    0.5220 H   0  0
   -0.1120    4.6310   -0.5970 H   0  0
   -1.4290    3.5260   -0.7160 H   0  0
   -0.3950   -0.1750    3.8070 H   0  0
    1.8230    0.5650   -0.8410 H   0  0
    1.2040    3.5000   -2.2670 H   0  0
   -0.3450    3.9620   -2.9280 H   0  0
    0.2480   -5.0640    3.0960 H   0  0
    2.1240   -4.3940   -1.2290 H   0  0
    2.7930   -0.4400   -2.8310 H   0  0
   -0.7360   -4.2390    5.1790 H   0  0
   -1.9690    2.0980   -3.6000 H   0  0
   -2.0450    1.8150   -1.8820 H   0  0
    0.7090    0.4330   -3.9540 H   0  0
    1.7950    1.7290   -3.5730 H   0  0
   -2.3780   -3.1270    6.5130 H   0  0
   -2.0010   -1.8030    7.6300 H   0  0
   -0.7480   -2.9960    7.2440 H   0  0
   -1.2280   -0.5570   -2.2180 H   0  0
   -1.3600   -0.3100   -3.9620 H   0  0
   -2.7910   -0.2180   -2.9530 H   0  0
    0.4220    3.3070   -5.0150 H   0  0
   -0.6490    1.9640   -5.4260 H   0  0
    1.0350    1.9300   -5.9190 H   0  0
  1  2  1  0
  1  3  1  0
  2  4  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  8  1  0
  6  9  1  0
  6 10  1  0
  7 11  1  0
  7 12  2  0
  8 13  1  0
  9 14  2  0
  9 15  1  0
 10 16  2  0
 11 17  2  0
 11 14  1  0
 12 18  1  0
 13 19  1  0
 15 20  2  0
 16 21  1  0
 16 20  1  0
 17 22  1  0
 18 22  2  0
 19 23  1  0
 19 24  1  0
 21 25  1  0
 22 26  1  0
 23 27  1  0
 24 28  1  0
  1 29  1  0
  2 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  5 35  1  0
  8 36  1  0
  8 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 15 42  1  0
 17 43  1  0
 18 44  1  0
 20 45  1  0
 23 46  1  0
 23 47  1  0
 24 48  1  0
 24 49  1  0
 25 50  1  0
 25 51  1  0
 25 52  1  0
 27 53  1  0
 27 54  1  0
 27 55  1  0
 28 56  1  0
 28 57  1  0
 28 58  1  0
M  END
> <Name>
Acrichine

> <Molecular_Formula>
C23H30N3OCl

> <Molecular_Weight>
399.967

> <cas_rn>
69-05-6

> <nsc>
14229

> <5HT2c_ligands_1>
0.605592

> <5HT2c_ligands_2>
2.07311

> <5HT2c_ligands_3>
1.73736

> <5HT2c_ligands_4>
3.6297

> <5HT2c_ligands_5>
3.33755

$$$$
QUAZEPAM
  SciTegic09262222253D

 36 38  0  0  0  0            999 V2000
    2.8710   -1.7570    1.2340 C   0  0
    3.1470   -0.4640    0.7490 C   0  0
    2.0830    0.4200    0.4730 C   0  0
    1.5360   -2.1740    1.4100 C   0  0
    0.7270    0.0260    0.6620 C   0  0
    0.4370   -1.3230    1.0900 C   0  0
   -0.8340   -1.8410    1.1880 N   0  0
   -0.3520    1.0600    0.4040 C   0  0
   -1.8960   -1.1500    1.7580 C   0  0
   -1.4140    1.1470    1.1340 N   0  0
   -1.6860    0.2520    2.2700 C   0  0
   -0.1920    2.0530   -0.7360 C   0  0
   -0.4990    3.4200   -0.5400 C   0  0
   -0.3490    4.3470   -1.5850 C   0  0
    0.1100    3.9220   -2.8400 C   0  0
    0.4150    2.5690   -3.0530 C   0  0
    0.2610    1.6360   -2.0130 C   0  0
   -3.4370   -1.8170    1.8770 S   0  0
    4.7690    0.0340    0.5020 Cl  0  0
   -1.1320   -3.2090    0.6350 C   0  0
   -1.5010   -3.1690   -0.8650 C   0  0
   -1.7840   -4.4450   -1.2820 F   0  0
   -0.4520   -2.6830   -1.6080 F   0  0
    0.5420    0.3570   -2.2590 F   0  0
   -2.6050   -2.3790   -1.0780 F   0  0
    3.6740   -2.4390    1.4750 H   0  0
    2.3120    1.4150    0.1180 H   0  0
    1.3840   -3.1710    1.7970 H   0  0
   -2.5850    0.5980    2.7790 H   0  0
   -0.8730    0.2910    2.9970 H   0  0
   -0.8510    3.7710    0.4190 H   0  0
   -0.5870    5.3880   -1.4210 H   0  0
    0.2290    4.6360   -3.6420 H   0  0
    0.7670    2.2480   -4.0230 H   0  0
   -1.9380   -3.6760    1.2020 H   0  0
   -0.2960   -3.8930    0.7710 H   0  0
  8 12  1  0
  5  6  2  0
 12 13  2  0
  3  5  1  0
 13 14  1  0
  6  7  1  0
 14 15  2  0
  1  2  1  0
 15 16  1  0
  5  8  1  0
 16 17  2  0
 17 12  1  0
  6  4  1  0
  9 18  2  0
  7  9  1  0
  2 19  1  0
  4  1  2  0
  7 20  1  0
  8 10  2  0
 20 21  1  0
 21 22  1  0
  9 11  1  0
 21 23  1  0
 10 11  1  0
 17 24  1  0
  2  3  2  0
 21 25  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  0
 11 29  1  0
 11 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 20 35  1  0
 20 36  1  0
M  END
> <Name>
QUAZEPAM

> <LogP>
4.03

> <Molecular_Formula>
C17H11N2F4SCl

> <Molecular_Weight>
386.8

> <activityclass>
Benzodiazepine

> <cas_rn>
36735-22-5

> <5HT2c_ligands_1>
3.40973

> <5HT2c_ligands_2>
2.98415

> <5HT2c_ligands_3>
3.26714

> <5HT2c_ligands_4>
3.02242

> <5HT2c_ligands_5>
3.65811

$$$$
HALOPERIDOL
  SciTegic09262222253D

 49 51  0  0  0  0            999 V2000
   -0.4451   -0.9627   -2.9486 C   0  0
    0.7118   -0.6221   -3.6684 C   0  0
    1.2273    0.6818   -3.5874 C   0  0
    0.5887    1.6435   -2.7866 C   0  0
   -0.5691    1.3096   -2.0514 C   0  0
   -1.0817   -0.0020   -2.1455 C   0  0
    1.3177   -1.5329   -4.4265 F   0  0
   -1.2616    2.3228   -1.1700 C   0  0
   -0.6664    3.6971   -0.9281 C   0  0
   -2.3136    2.0501   -0.6367 O   0  0
    0.6152    3.7160   -0.0699 C   0  0
    0.4656    3.0324    1.3041 C   0  0
    0.3844    1.5654    1.1967 N   0  0
   -0.3133    0.9495    2.3347 C   0  0
   -0.5281   -0.5539    2.0931 C   0  0
    0.8087   -1.3123    1.8807 C   0  0
    1.5373   -0.5936    0.7085 C   0  0
    1.6832    0.9270    0.9205 C   0  0
    0.4704   -2.6191    1.4250 O   0  0
    1.6139   -1.4384    3.1690 C   0  0
    2.9821   -1.0848    3.2414 C   0  0
    3.6970   -1.2030    4.4448 C   0  0
    3.0586   -1.6836    5.6001 C   0  0
    1.7038   -2.0496    5.5452 C   0  0
    0.9922   -1.9316    4.3403 C   0  0
    3.9293   -1.8241    7.0703 Cl  0  0
   -0.8486   -1.9630   -3.0091 H   0  0
    2.1161    0.9494   -4.1406 H   0  0
    1.0047    2.6389   -2.7491 H   0  0
   -1.9699   -0.2839   -1.5983 H   0  0
   -0.4787    4.1861   -1.8846 H   0  0
   -1.4170    4.3158   -0.4338 H   0  0
    1.4553    3.2967   -0.6208 H   0  0
    0.8842    4.7591    0.0982 H   0  0
    1.3024    3.3004    1.9505 H   0  0
   -0.4306    3.4218    1.7897 H   0  0
   -1.2852    1.4272    2.4659 H   0  0
    0.2535    1.1204    3.2515 H   0  0
   -1.1205   -0.9739    2.9063 H   0  0
   -1.1571   -0.6607    1.2057 H   0  0
    2.5077   -1.0437    0.4964 H   0  0
    0.9664   -0.7361   -0.2103 H   0  0
    2.1242    1.3577    0.0227 H   0  0
    2.3708    1.1467    1.7367 H   0  0
    1.2802   -3.0906    1.1663 H   0  0
    3.5162   -0.7157    2.3804 H   0  0
    4.7401   -0.9207    4.4688 H   0  0
    1.1976   -2.4241    6.4237 H   0  0
   -0.0456   -2.2290    4.3271 H   0  0
 12 13  1  0
 13 14  1  0
  1  2  2  0
  2  7  1  0
  3  4  2  0
  5  8  1  0
 13 18  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  8  9  1  0
 16 19  1  0
  4  5  1  0
 16 20  1  0
  8 10  2  0
 20 21  2  0
  2  3  1  0
 21 22  1  0
  9 11  1  0
 22 23  2  0
  5  6  2  0
 23 24  1  0
 11 12  1  0
 24 25  2  0
 25 20  1  0
  6  1  1  0
 23 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  6 30  1  0
  9 31  1  0
  9 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 21 46  1  0
 22 47  1  0
 24 48  1  0
 25 49  1  0
M  END
> <Name>
HALOPERIDOL

> <LogP>
3.23

> <Molecular_Formula>
C21H23NO2FCl

> <Molecular_Weight>
375.873

> <activityclass>
Antipsychotic

> <cas_rn>
52-86-8

> <nsc>
170973

> <5HT2c_ligands_1>
0.679293

> <5HT2c_ligands_2>
1.34639

> <5HT2c_ligands_3>
2.81759

> <5HT2c_ligands_4>
3.05043

> <5HT2c_ligands_5>
3.30742

$$$$
THIORIDAZINE
  SciTegic09262222253D

 51 54  0  0  1  0            999 V2000
   -4.3379    2.4061    0.7109 C   0  0
   -3.8490    1.0878    0.5753 C   0  0
   -2.4702    0.8555    0.3464 C   0  0
   -3.4501    3.4958    0.6045 C   0  0
   -2.0863    3.2283    0.3639 C   0  0
   -1.5230    1.9252    0.2443 C   0  0
   -0.1731    1.6441    0.0575 N   0  0
   -1.1004    4.5727    0.2101 S   0  0
    0.3987    4.0511   -0.3251 C   0  0
    0.6837    2.6517   -0.3743 C   0  0
    1.9712    2.3174   -0.9077 C   0  0
    2.8697    3.3391   -1.3103 C   0  0
    2.5614    4.7103   -1.2094 C   0  0
    1.2956    5.0748   -0.7064 C   0  0
    0.3536    0.2576    0.3392 C   0  0
    4.4028    2.9641   -1.9510 S   0  0
    4.5841    1.2161   -2.0042 C   0  0
    0.2718   -0.6810   -0.8913 C   0  0
    0.4734   -2.1810   -0.5690 C   0  0  3  0  0  0
    1.7171   -2.4411    0.2005 N   0  0
    1.8906   -3.8631    0.5523 C   0  0
    0.6855   -4.4190    1.3219 C   0  0
   -0.6055   -4.2210    0.5285 C   0  0
   -0.7661   -2.7458    0.1618 C   0  0
    2.9281   -1.9447   -0.4679 C   0  0
   -5.3880    2.5785    0.8935 H   0  0
   -4.5302    0.2530    0.6476 H   0  0
   -2.1740   -0.1779    0.2542 H   0  0
   -3.8103    4.5094    0.7025 H   0  0
    2.2755    1.2913   -1.0100 H   0  0
    3.2726    5.4654   -1.5106 H   0  0
    1.0211    6.1162   -0.6194 H   0  0
   -0.1844   -0.1672    1.1861 H   0  0
    1.3761    0.3056    0.7146 H   0  0
    4.5239    0.8019   -0.9977 H   0  0
    5.5458    0.9478   -2.4413 H   0  0
    3.7849    0.7648   -2.5929 H   0  0
    0.9983   -0.3740   -1.6428 H   0  0
   -0.6917   -0.5708   -1.3898 H   0  0
    0.5506   -2.7103   -1.5208 H   0  0
    2.0473   -4.4456   -0.3572 H   0  0
    2.7873   -3.9814    1.1618 H   0  0
    0.6036   -3.9176    2.2870 H   0  0
    0.8343   -5.4781    1.5338 H   0  0
   -1.4633   -4.5619    1.1086 H   0  0
   -0.5772   -4.8252   -0.3791 H   0  0
   -1.6541   -2.6210   -0.4583 H   0  0
   -0.9531   -2.1841    1.0765 H   0  0
    3.0275   -2.3835   -1.4616 H   0  0
    3.8162   -2.1953    0.1131 H   0  0
    2.9026   -0.8615   -0.5634 H   0  0
 11 12  2  0
  2  3  2  0
 12 13  1  0
  3  6  1  0
 13 14  2  0
 14  9  1  0
  1  2  1  0
  7 15  1  0
  5  8  1  0
 12 16  1  0
  6  7  1  0
 16 17  1  0
  7 10  1  0
 15 18  1  0
  9  8  1  0
 18 19  1  0
 19 20  1  0
  5  4  1  0
  4  1  2  0
  9 10  2  0
  5  6  2  0
 10 11  1  0
 19 24  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 20 25  1  0
  1 26  1  0
  2 27  1  0
  3 28  1  0
  4 29  1  0
 11 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 15 34  1  0
 17 35  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 19 40  1  0
 21 41  1  0
 21 42  1  0
 22 43  1  0
 22 44  1  0
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
 25 49  1  0
 25 50  1  0
 25 51  1  0
M  END
> <Name>
THIORIDAZINE

> <LogP>
5.9

> <Molecular_Formula>
C21H26N2S2

> <Molecular_Weight>
370.585

> <activityclass>
Antipsychotic

> <cas_rn>
50-52-2

> <5HT2c_ligands_1>
3.41711

> <5HT2c_ligands_2>
2.78889

> <5HT2c_ligands_3>
3.27414

> <5HT2c_ligands_4>
2.63144

> <5HT2c_ligands_5>
2.94458

$$$$
Aminazin monohydrochloride
  SciTegic09262222253D

 40 42  0  0  0  0            999 V2000
   -3.4790    3.3750   -0.1590 C   0  0
   -3.1720    2.3470    0.7590 C   0  0
   -1.9630    1.6160    0.6390 C   0  0
   -2.5830    3.6670   -1.2070 C   0  0
   -1.3940    2.9140   -1.3040 C   0  0
   -1.0090    1.8840   -0.3970 C   0  0
    0.1840    1.1690   -0.4470 N   0  0
   -0.4010    3.2930   -2.5970 S   0  0
    0.8170    2.1440   -2.6630 C   0  0
    0.9540    1.1990   -1.6060 C   0  0
    1.9950    0.2340   -1.8010 C   0  0
    2.8370    0.2490   -2.9450 C   0  0
    2.6630    1.2370   -3.9420 C   0  0
    1.6420    2.1990   -3.8050 C   0  0
    4.0690   -0.9310   -3.1210 Cl  0  0
    0.6480    0.3830    0.7550 C   0  0
    0.1410   -1.0750    0.7540 C   0  0
    0.6600   -1.8560    1.9730 C   0  0
    0.3210   -3.2880    1.9210 N   0  0
    1.0840   -4.0550    2.9100 C   0  0
   -1.1180   -3.5450    2.0520 C   0  0
   -4.3970    3.9360   -0.0600 H   0  0
   -3.8620    2.1170    1.5570 H   0  0
   -1.8030    0.8460    1.3780 H   0  0
   -2.8070    4.4480   -1.9190 H   0  0
    2.1770   -0.5450   -1.0750 H   0  0
    3.3030    1.2640   -4.8120 H   0  0
    1.4970    2.9570   -4.5600 H   0  0
    0.3470    0.8830    1.6760 H   0  0
    1.7370    0.4010    0.8200 H   0  0
    0.4550   -1.5830   -0.1570 H   0  0
   -0.9480   -1.0860    0.7420 H   0  0
    0.2830   -1.4200    2.9000 H   0  0
    1.7460   -1.7520    1.9990 H   0  0
    0.8410   -3.7290    3.9230 H   0  0
    2.1550   -3.9240    2.7490 H   0  0
    0.8610   -5.1190    2.8230 H   0  0
   -1.6720   -3.0720    1.2420 H   0  0
   -1.4930   -3.1660    3.0040 H   0  0
   -1.3180   -4.6160    2.0000 H   0  0
  9 10  2  0
  5  6  2  0
 10 11  1  0
 11 12  2  0
  2  3  2  0
 12 13  1  0
  3  6  1  0
 13 14  2  0
 14  9  1  0
  1  2  1  0
 12 15  1  0
  5  8  1  0
  7 16  1  0
  6  7  1  0
 16 17  1  0
  7 10  1  0
 17 18  1  0
  9  8  1  0
 18 19  1  0
  5  4  1  0
 19 20  1  0
  4  1  2  0
 19 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  4 25  1  0
 11 26  1  0
 13 27  1  0
 14 28  1  0
 16 29  1  0
 16 30  1  0
 17 31  1  0
 17 32  1  0
 18 33  1  0
 18 34  1  0
 20 35  1  0
 20 36  1  0
 20 37  1  0
 21 38  1  0
 21 39  1  0
 21 40  1  0
M  END
> <Name>
Aminazin monohydrochloride

> <LogP>
5.19

> <Molecular_Formula>
C17H19N2SCl

> <Molecular_Weight>
318.872

> <activityclass>
Antipsychotic

> <cas_rn>
69-09-0

> <nsc>
17479

> <5HT2c_ligands_1>
0.998792

> <5HT2c_ligands_2>
2.08007

> <5HT2c_ligands_3>
0.684452

> <5HT2c_ligands_4>
1.71233

> <5HT2c_ligands_5>
1.86739

$$$$
