MolName Class NumHeavy Dock35 D6Contact D6Continuous D6ContinuousVDW D6ContinuousES D6Grid D6GridVDW D6GridES D6GridInt D6Hawkins D6HawkinsVDW D6HawkinsES D6HawkinsGB D6HawkinsSA D6Pbsa D6PbsaVDW D6PbsaPB D6PbsaSA D6SASA D6SASAComLigTot D6SASALigTot D6SASAPercPhobicExpo D6SASAComPhobic D6SASAPhobic D6SASAPercPhilicExpo D6SASAComPhilic D6SASAPhilic D6SASAPercOtherExpo D6SASAComOther D6SASAOther GASP GASPNoSimplex GASPASP GASPS GASPDEClash GASPDeInt GChemscore GCSNoSimplex GCSDG GCSSHB GCSSMetal GCSSLipo GCSHRot GCSDeClash GCSDeInt GGoldscore GGSNoSimplex GGSSHBExt GGSSVDWExt GGSSHBInt GGSSInt GPlp GPLPNoSimplex GPLPSPLP GPLPSHB GPLPSCHO GPLPSMetal GPLPDEClash GPLPDETors OEChemScore OECSRB OECSClash OECSLipo OECSMetal OECSHB OEChemgauss3 OECCG3Steric OECCG3Clash OECCG3ProDesolv OECCG3LigDesolv OECCG3LigDesolvHB OECCG3ACC OECCG3Don OECCG3Metal OEChemgauss4 OECCG4Steric OECCG4Clash OECCG4ProDesolv OECCG4LigDesolv OECCG4LigDesolvHB OECCG4HB OEPLP OEPLPNonPolar OEPLPHB OEPLPMetal 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10.9500 21.5800 -107.8800 3.9700 6.6600 3.1000 3.1000 -13.7200 0.0400 0.0000 125.9300 2.5900 3.9700 6.6600 -39.4300 -39.4300 0.0000 24.4700 0.0000 -73.0800 20.0900 20.0900 -27.1900 0.2300 0.0000 0.0000 1.9500 2.9300 340282346638528859811704183484516925440.0000 4.8764 3.6112 -13.0971 0.0000 340282346638528859811704183484516925440.0000 11.2991 -10.2248 2.3420 8.3505 13.6897 -2.2156 -0.5563 -0.0865 0.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 3.7044 -0.3816 -1.3787 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 -3.9676 0.0000 -1.3062 340282346638528859811704183484516925440.0000 C00716263 0 35 -31.9400 -60.0000 26.2968 25.8957 0.4011 52.0040 51.6001 0.4039 23.9843 40.1573 25.8847 -0.7165 20.8555 -5.8664 35.9766 51.6001 6.8738 -22.4973 26.4800 207.0400 781.9500 30.7300 202.8100 659.9000 3.4700 4.2300 122.0500 0.0000 0.0000 0.0000 32.5400 32.5400 38.2900 -191.4600 0.3300 5.4300 21.8300 21.8300 -30.0100 0.0000 0.0000 236.7100 1.2400 2.7600 5.4300 16.7500 16.7500 0.0000 30.5500 0.0000 -25.2600 43.5800 43.5800 -52.3000 0.0000 0.0000 0.0000 3.9400 2.3900 -16.3557 3.0221 5.4532 -24.8311 0.0000 0.0000 -55.3276 -65.8712 2.5590 4.2525 4.0553 -0.2740 -0.0492 0.0000 0.0000 -8.1360 -10.2025 0.3240 0.8424 1.0973 -0.0472 -0.1500 -56.0192 -53.8343 -0.0696 0.0000 -2.1153 -427.2024 C00718888 0 35 -22.6000 -75.0000 8.2988 9.5428 -1.2440 25.8609 27.1017 -1.2408 101.9164 18.5117 9.5444 -8.3487 22.6602 -5.3442 13.0674 27.1017 5.4837 -19.5180 38.1100 292.1600 766.5800 37.8200 260.1600 687.8100 40.6400 32.0100 78.7700 0.0000 0.0000 0.0000 12.7900 12.7900 17.5900 -87.9700 1.2000 3.6100 12.3300 12.3300 -17.1400 0.0100 0.0000 129.9100 1.4000 1.2000 3.6100 -9.0700 -9.0700 0.0000 19.4100 0.0000 -35.7600 9.8300 9.8300 -20.0600 0.2000 0.5300 0.0000 10.9500 0.7400 -13.4367 1.5354 1.4958 -13.1278 0.0000 -3.3400 -1.6524 -15.7370 2.1516 7.2177 4.7336 -0.0000 -0.0183 0.0000 0.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 1.2809 -0.0000 -0.0581 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 -3.3516 0.0000 -9.0768 340282346638528859811704183484516925440.0000 C00744666 0 37 -27.3100 -94.0000 -9.1493 -7.1116 -2.0377 12.0379 14.0657 -2.0278 48.5343 6.4175 -7.1100 -12.1215 31.4695 -5.8204 2.8453 14.0657 9.8799 -21.1003 38.7300 332.0500 857.2600 37.8300 293.3500 775.4300 47.3000 38.7000 81.8300 0.0000 0.0000 0.0000 16.7300 16.7300 24.7500 -123.7300 3.0700 4.9500 16.0800 16.0800 -24.1000 0.3300 0.0000 183.7000 1.5400 3.0700 4.9500 -19.9600 -19.9600 0.0000 22.7100 0.0000 -51.1900 32.5100 32.5100 -38.6700 0.3400 0.0000 0.0000 3.0000 2.1000 -14.0772 2.1435 2.8855 -18.1994 0.0000 -0.9068 -17.2383 -29.1424 1.9343 11.4908 5.1347 -2.7762 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261.1500 816.8700 37.0400 253.8300 685.2000 5.5600 7.3200 131.6700 0.0000 0.0000 0.0000 27.9300 27.9300 34.5500 -172.7300 1.7000 4.9200 17.8500 17.8500 -24.4600 0.1300 0.0000 196.3800 1.7400 1.7000 4.9200 20.6900 20.6900 0.0000 27.6800 0.0000 -17.3700 36.5800 36.5800 -38.0800 0.1300 0.0000 0.0000 0.0000 0.9400 -15.7438 3.5325 1.3388 -19.9560 0.0000 -0.6591 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 6.8129 -0.0140 -0.0551 0.0000 0.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 1.8435 -0.0024 -0.1671 340282346638528859811704183484516925440.0000 340282346638528859811704183484516925440.0000 1.0743 0.0000 0.0000 340282346638528859811704183484516925440.0000 C01102951 0 30 -28.3900 -112.0000 -22.6380 -20.5809 -2.0570 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1.2377 -0.1303 -0.3721 -48.0199 -40.9415 -1.3968 0.0000 -5.6816 -433.9419 C01396555 0 33 -29.0800 -75.0000 23.3287 26.9462 -3.6175 39.9217 43.5739 -3.6521 245.3287 32.9379 26.9507 -23.1823 34.1479 -4.9785 29.1307 43.5739 5.3626 -19.8058 31.0300 215.4700 694.4900 45.2700 212.0300 468.3100 1.5200 3.4400 226.1700 0.0000 0.0000 0.0000 33.1000 33.1000 36.5800 -182.8800 0.0000 3.4700 8.5300 8.5300 -15.5400 0.1800 0.0000 135.6600 2.5100 3.5400 3.4700 -51.3700 -51.3700 0.1000 23.2900 0.0000 -83.5000 19.2100 19.2100 -39.0900 1.0000 1.0000 0.0000 25.1300 0.3800 -5.0569 6.1446 8.2916 -16.1531 0.0000 -3.3400 -42.3523 -64.3675 2.4817 6.7155 14.0121 -1.1906 -0.0035 0.0000 0.0000 -4.8374 -9.9696 0.3142 1.3303 3.7916 -0.2051 -0.0988 -46.3606 -40.6272 -2.7863 0.0000 -2.9471 -401.7308 C01404116 0 32 -30.4900 -98.0000 -26.2428 -25.5933 -0.6495 -20.8289 -20.1826 -0.6464 64.7357 -10.1634 -25.5977 -5.3341 26.1516 -5.3833 -35.8058 -20.1826 5.4930 -21.1162 25.8800 175.9400 679.7100 31.5500 125.1200 396.6200 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