smiles, TSF and CBDMQN to nicotine
C[NH+]1CCCC1C1=CC=CN=C1 1.0 0
CC[NH+]1CCCC1C1=CC=CN=C1 1.0 5
CC1CCC([NH+]1C)C1=CC=CN=C1 0.9870129823684692 6
C[NH+]1CCCC1C1=CN=CC(C)=C1 0.9620253443717957 6
C[NH+]1CCCCC1C1=CC=CN=C1 0.9610389471054077 6
CC1CC([NH+](C)C1)C1=CC=CN=C1 0.949999988079071 6
C1C[NH2+]C(C1)C1=CC=CN=C1 0.9473684430122375 7
CC1CC[NH+](C)C1C1=CC=CN=C1 0.9382715821266174 6
C1CCC([NH2+]C1)C1=CC=CN=C1 0.9220778942108154 9
CC1=CN=CC(=C1)C1CCC[NH2+]1 0.9113923907279968 1
C[NH+]1CCCC1C1=CC=C(C)N=C1 0.8941176533699036 6
C[NH+]1CCCC1C1=CC=C(N)N=C1 0.8837209343910217 11
C[NH+]1CCCC1C1=CN=CC=C1C 0.8636363744735718 6
CC1=CC=C(C=N1)C1CCC[NH2+]1 0.8588235378265381 1
C[NH+]1CCCC1C1=CC=C(O)N=C1 0.8444444537162781 10
C[NH+]1CCCC1C1=CN=CC(Cl)=C1 0.8351648449897766 6
C[NH+]1CC(O)CC1C1=CC=CN=C1 0.8260869383811951 10
C[NH+]1CCCC1C1=CN=CC=C1N 0.8260869383811951 11
C[NH+]1CCCC1C1=CC=CN=C1C 0.8085106611251831 6
C[NH+]1CCCC1C1=CC=CN=C1N 0.800000011920929 11
ClC1=CN=CC(=C1)C1CCC[NH2+]1 0.791208803653717 3
CC1=NC=CC=C1C1CCC[NH2+]1 0.7765957713127136 1
C([NH+]1CCCCC1)C1=CC=CN=C1 0.7763158082962036 11
C[NH+]1CCCC1C1=CC=CNC1=O 0.7755101919174194 11
ClC1=CN=CC(=C1)C1CCCC[NH2+]1 0.77173912525177 7
O=C1CCC(N1)C1=CC=CN=C1 0.7659574747085571 8
C([NH+]1CCCC1)C1=CC=CN=C1 0.7631579041481018 5
C[NH+]1CCCC1CC1=CC=CN=C1 0.7560975551605225 5
COC1=CC=C(C=N1)C1CCC[NH2+]1 0.7525773048400879 8
C1C[NH2+]C(C1)C1=CC=NC=C1 0.7250000238418579 7
[NH3+]C1CCN(CC2=CC=CN=C2)C1 0.7195122241973877 9
C(C1CCC[NH2+]1)C1=CC=CN=C1 0.7195122241973877 6
C[NH+]1CCCC1C1=CC=CC=C1 0.7051281929016113 4
C1CCC([NH2+]C1)C1=CC=NC=C1 0.7037037014961243 9
C[NH+]1CCCC1C1=CC=C(C)C=C1 0.6962025165557861 10
C[NH+]1CCC(CC1)C1=CC=CN=C1 0.6829268336296082 6
C(C1CC[NH2+]C1)C1=CC=CN=C1 0.6829268336296082 6
C[NH+]1CCCCC1C1=CC=CC=C1 0.6708860993385315 10
C1C[NH2+]C(C1)C1=CC=CC=C1 0.6666666865348816 9
C(CC1=CC=CN=C1)[NH+]1CCCC1 0.6625000238418579 10
CC1=CC(C)=CC(=C1)C1CCC[NH2+]1 0.6625000238418579 11
CC1=CC=CC(=C1)C1CCC[NH2+]1 0.6625000238418579 5
CC1=CC=C(C=C1)C1CCC[NH2+]1 0.6582278609275818 5
CC1CC[NH2+]C(C1)C1=CC=CC=C1 0.654321014881134 11
C[NH+]1CCCC1C1=CC=C(Cl)C=C1 0.6511628031730652 10
CC1=CC=CC(=C1)C1CCCC[NH2+]1 0.6419752836227417 11
CC1=CC=C(C=C1C)C1CCC[NH2+]1 0.6385542154312134 11
CC1=CC=C(C=C1)C1CCCC[NH2+]1 0.637499988079071 11
C[NH+]1CCC(C1)C1=CC=CN=C1 0.6363636255264282 0
C[NH+]1CCCC1C1=CC=CC(Cl)=C1 0.6222222447395325 10
ClC1=CC=C(C=C1)C1CCC[NH2+]1 0.6162790656089783 5
C[NH+]1CCCC1C1=CC=CC=N1 0.6122449040412903 0
OC1=CC=C(C=C1)C1CCC[NH2+]1 0.6091954112052917 5
C1CC(C[NH2+]1)C1=CC=CN=C1 0.6022727489471436 7
ClC1=CC=C(C=C1)C1CCCC[NH2+]1 0.5977011322975159 11
CC1=CC=CC=C1C1CCC[NH2+]1 0.5977011322975159 5
CC1=CC=CN=C1CC1CCC[NH2+]1 0.594059407711029 6
ClC1=CC=CC(=C1)C1CCC[NH2+]1 0.5888888835906982 5
CC1=CC=C(C)C(=C1)C1CCC[NH2+]1 0.5888888835906982 11
C1C[NH2+]C(C1)C1=CC=CC=N1 0.5876288414001465 7
C([NH+]1CCCC1)C1=CC=NC=C1 0.5874999761581421 5
ClC1=CC=C(C=C1Cl)C1CCC[NH2+]1 0.5869565010070801 11
CC1=CC=C(C2CCC[NH2+]2)C(C)=C1 0.584269642829895 11
COC1=CC=C(C=C1)C1CCC[NH2+]1 0.5824176073074341 8
C(C1CCCC1)C1=CC=CN=C1 0.5822784900665283 10
CC1=CC=CC=C1C1CCCC[NH2+]1 0.5795454382896423 11
ClC1=CC(Cl)=CC(=C1)C1CCC[NH2+]1 0.5760869383811951 11
ClC1=CC=CC(=C1)C1CCCC[NH2+]1 0.5714285969734192 11
C1CCC([NH2+]C1)C1=CC=CC=N1 0.5714285969734192 9
C[NH+]1CCCC1C1=CC=CN1 0.5656565427780151 10
C(C1CCC[NH2+]1)C1=CC=CC=N1 0.563829779624939 6
COC1=CC=CC(=C1)C1CCC[NH2+]1 0.557894766330719 8
[NH3+]CC1=CC=C(N=C1)N1CCCC1 0.5555555820465088 9
ClC1=CC=CC=C1C1CCC[NH2+]1 0.5531914830207825 5
ClC1=CC=C(C2CCC[NH2+]2)C(Cl)=C1 0.5520833134651184 11
C[NH+]1CCC(CC1)C1=CC=NC=C1 0.5476190447807312 6
CC1=CC=CC(CC2CCC[NH2+]2)=N1 0.5463917255401611 6
CC1=CC=NC(CC2CCC[NH2+]2)=C1 0.5454545617103577 6
O=C1CCC(N1)C1=CC=CC=C1 0.5416666865348816 6
ClC1=CC=CC=C1C1CCCC[NH2+]1 0.5368421077728271 11
C(CC1=CC=NC=C1)[NH+]1CCCC1 0.5365853905677795 10
CC1=CC=CN=C1C1CC[NH2+]CC1 0.5360824465751648 7
ClC1=CC=C(Cl)C(=C1)C1CCC[NH2+]1 0.5353535413742065 11
[NH3+]CC1=CC=CN=C1N1CCCC1 0.523809552192688 9
CC1=CC=CC(CC2CCC[NH2+]2)=C1 0.523809552192688 10
CC1CC(C[NH2+]1)C1=CC=CC=C1 0.5227272510528564 5
C([NH+]1CCCCC1)C1=CC=CC=N1 0.52173912525177 11
COC1=CC=CC=C1C1CCC[NH2+]1 0.5196078419685364 8
C(C1CCC[NH2+]1)C1=CC=CC=C1 0.5180723071098328 10
CC1CC(CC[NH2+]1)C1=CC=CC=C1 0.511904776096344 11
CC1=CC=C(CC2CCC[NH2+]2)C=C1 0.511904776096344 10
C1CC(CC[NH2+]1)C1=CC=NC=C1 0.511904776096344 9
C[NH+]1CCC(CC1)C1=CC=CC=N1 0.510869562625885 6
C([NH+]1CCCC1)C1=CC=CC=N1 0.510869562625885 5
O=C1CC(CN1)C1=CC=CN=C1 0.5047619342803955 8
CC1=C(NC=C1)C1CCC[NH2+]1 0.5045045018196106 11
C([NH+]1CCCC1)C1=CC=CC=C1 0.5 9
CN1C=C(C=N1)C1CCC[NH2+]1 0.49494946002960205 9
C(CC1=CC=CC=N1)[NH+]1CCCC1 0.49450552463531494 10
C1CC(C[NH2+]1)C1=CC=NC=C1 0.49438202381134033 7
CC1=CC=C(C[NH+]2CCCC2)C=C1 0.49367088079452515 9
O=C1CCCN1CC1=CC=NC=C1 0.4895833730697632 11
C1CC(CC[NH2+]1)C1=CC=CC=N1 0.489130437374115 9
NC1=CC=CC(C[NH+]2CCCC2)=C1 0.4883720874786377 10
[NH3+]C1CCN(CC2=CC=CC=C2)C1 0.488095223903656 9
NC1=CC=C(C[NH+]2CCCC2)C=C1 0.488095223903656 10
CC1=CC=CC(C[NH+]2CCCC2)=C1 0.48750001192092896 9
ClC1=CC=C(CC2CCC[NH2+]2)C=C1 0.4835164546966553 10
CC1=CC=CC=C1CC1CCC[NH2+]1 0.483146071434021 10
CN1CC[NH2+]CC1C1=CC=CC=C1 0.48275864124298096 7
CN1CC[NH2+]C(C1)C1=CC=CC=C1 0.48275864124298096 7
CN1C=CC=C1C1CCCCC[NH2+]1 0.4821428656578064 11
C1CC(C[NH2+]1)C1=CC=CC=N1 0.47959184646606445 7
CN1C=CC=C1C1CCC[NH2+]1 0.477477490901947 9
C1C[NH2+]CC(N1)C1=CC=CC=C1 0.4767441749572754 11
CC1=CC=CC=C1C[NH+]1CCCC1 0.46987950801849365 9
ClC1=CC=CC(CC2CCC[NH2+]2)=C1 0.4680851101875305 10
ClC1=CC=CC=C1CC1CCC[NH2+]1 0.4680851101875305 10
OCC1=CC=C(N=C1)N1CCCC1 0.46728968620300293 10
N#CC1=CC=C(N=C1)N1CCCC1 0.46728968620300293 11
ClC1=CC=C(C[NH+]2CCCC2)C=C1 0.4651162624359131 9
C(C1CC[NH2+]C1)C1=CC=CC=C1 0.4642857313156128 10
CN1CC[NH+]=C1C1=CC=CN=C1 0.4636363983154297 6
CCN1C=C(C=N1)C1CCC[NH2+]1 0.46226418018341064 10
NC1=CC=CC=C1C[NH+]1CCCC1 0.4606741666793823 10
CC1=CC=CC(=C1)C1CCC[NH2+]C1 0.4597700834274292 11
CC1=CC=C(CC2CC[NH2+]C2)C=C1 0.458823561668396 10
C[NH+]1CCC(CC1)C1=CC=CC=C1 0.45783132314682007 10
[NH3+]CC1=CC=NC(=C1)N1CCCC1 0.45714282989501953 9
CN1C=CC=C1C[NH+]1CCCCC1 0.4563106894493103 9
OC1CC[NH+](CC2=CC=CC=C2)C1 0.4555555582046509 9
ClC1=CC=CC=C1C[NH+]1CCCC1 0.4555555582046509 9
OC1CC[NH+](CC2=CC=CN2)CC1 0.4554455280303955 11
N#CC1=CC=CN=C1N1CCCC1 0.45045042037963867 11
ClC1=CC=CC(C[NH+]2CCCC2)=C1 0.449438214302063 9
OC1=CC=C(C[NH+]2CCCC2)C=C1 0.4482758641242981 9
CC1=CC=C(C=C1)C1CCC[NH2+]C1 0.4482758641242981 11
ClC1=CC=C(C=C1)C1C[NH2+]CCN1 0.44680851697921753 9
O=C(C1CCC[NH2+]1)C1=CC=CC=C1 0.4444444179534912 11
[NH3+]CC1=CC=C(C=C1)N1CCCC1 0.4444444179534912 9
[NH3+]C1CCN(CC1)C1=CC=CC=N1 0.4444444179534912 10
CCC1=CC=C(C=C1)N1CCCC1 0.4444444179534912 10
C1CCC(C1)NC1=CC=CC=N1 0.44329893589019775 10
C[NH+]1CCC(C1)C1=CC=CC=C1 0.4431818127632141 4
OCC1=CC=CN=C1N1CCCC1 0.44247788190841675 10
[NH3+]CC1=CC=CC(=C1)N1CCCC1 0.44086021184921265 9
CC1=CC=CC(=C1)C1CC[NH2+]CC1 0.4404761791229248 11
OC1=CC=CC=C1C[NH+]1CCCC1 0.4395604133605957 9
CC1=CC=CC=C1C1CCC[NH2+]C1 0.4395604133605957 11
OC1=CC=CN=C1C[NH+]1CCCC1 0.4392523765563965 9
ClC1=CC=C(CC2CC[NH2+]C2)C=C1 0.43478262424468994 10
CC1CCC2=CC=CC=C2N1 0.43434345722198486 11
OC1=CC=CC(C[NH+]2CCCC2)=C1 0.4333333373069763 9
[NH3+]C1CCN(CC1)C1=CC=CN=C1 0.4329897165298462 10
O=C1CCC(CC2=CC=CC=C2)N1 0.4300000071525574 9
CN1CC[NH+]=C1CC1=CC=CN=C1 0.4298245906829834 9
CC1=CC=C(S1)C1CCCC[NH2+]1 0.4285714626312256 7
CC1=CC=C(C=C1)C1CC[NH2+]CC1 0.4285714626312256 11
CN1C=CC=C1C[NH+]1CCCC1 0.42718446254730225 9
ClC1=CC=CC=C1CC1CC[NH2+]C1 0.4270833730697632 10
CC1=CC=CC(=N1)N1CCCCC1 0.42592597007751465 11
ClC1=CC=C(C=C1)C1CCC[NH2+]C1 0.42553192377090454 11
CC1=CC=CC=C1C1CC[NH2+]CC1 0.4252873659133911 11
ClC1=CC=CC=C1C1CCC[NH2+]C1 0.42424243688583374 11
CC1=CC=C(S1)C1CCC[NH2+]1 0.4234234094619751 11
C1CC(C[NH2+]1)C1=CC=CC=C1 0.4204545021057129 9
[NH3+]CC1=CC=CC(=N1)N1CCCC1 0.4196428656578064 9
CC[NH+]1CCC2=CC=CC=C2C1 0.41935479640960693 11
N#CC1=CC=C(C=N1)N1CCCC1 0.41904759407043457 11
[NH3+]CC1=CC=CC=C1N1CCCC1 0.4166666269302368 9
ClC1=CC=CC(=C1)C1CCC[NH2+]C1 0.4166666269302368 11
CC1=CC=C(C=C1)C1CC[NH2+]C1 0.415730357170105 5
O=C1CCCN1CC1=CC=CC=C1 0.41489362716674805 11
CC1=CC=CC=C1NC1CCCC1 0.4130434989929199 10
CC1=CC=CC(=C1)N1CCCCC1 0.4130434989929199 11
CC1CCCN1C1=CC=CC=C1 0.41111111640930176 5
C1CCN(C1)C1=CC=CN=C1 0.4105262756347656 11
OCC1=CC=NC(=C1)N1CCCC1 0.40909087657928467 10
N#CC1=CC=NC(=C1)N1CCCC1 0.40909087657928467 11
N#CC1=CC=CC(=N1)N1CCCC1 0.40869563817977905 11
CC1=CC=CC=C1C1CC[NH2+]C1 0.40860211849212646 5
ClC1=CC=C(C=C1)C1CC[NH2+]CC1 0.4065934419631958 11
CC1CCC(C)N1C1=CC=CC=C1 0.4065934419631958 11
OC1CCN(CC1)C1=CC=CC=N1 0.40566039085388184 11
O=C1CC(CN1)C1=CC=CC=N1 0.4051724076271057 8
ClC1=CN=CC=C1N1CCCCC1 0.4038461446762085 11
OCC1=CC=C(C=N1)N1CCCC1 0.39814817905426025 10
[NH3+]C1CCCN(CC2=CC=CS2)C1 0.39805829524993896 11
ClC1=CC=CC(=C1)C1CC[NH2+]CC1 0.397849440574646 11
CC1=CC=CC=C1N1CCCCC1 0.397849440574646 11
ClC1=CC=CC=C1C1CC[NH2+]C1 0.39603960514068604 5
ClC1=CC=CC=C1C1CC[NH2+]CC1 0.3958333730697632 11
ClC1=CC=C(C=C1)C1CC[NH2+]C1 0.3958333730697632 5
CC1=CC=C(O1)C1CCCC[NH2+]1 0.3947368860244751 7
C1COCC([NH2+]1)C1=CC=CC=C1 0.39393937587738037 11
OC1=CC=C(C=C1)C1CC[NH2+]CC1 0.3913043737411499 11
OC1CCCN(C1)C1=CC=CC=N1 0.3909090757369995 11
ClC1=CC=C(N=C1)N1CCCCC1 0.3909090757369995 11
CC1=CC=C(C=C1)C1COCC[NH2+]1 0.38999998569488525 9
CC1=CC=C(O1)C1CCC[NH2+]1 0.3893805742263794 11
NC1=CC=C(C=N1)N1CCCC1 0.3883495330810547 8
ClC1=CC=CC(=C1)C1CC[NH2+]C1 0.3877550959587097 5
O=C1CC(CC2=CC=CC=C2)CN1 0.3861386179924011 9
ClC1=CC=CN=C1N1CCCCC1 0.38596487045288086 11
OCC1=CC=CC(=N1)N1CCCC1 0.384615421295166 10
O=C1NCC(N1)C1=CC=CC=C1 0.384615421295166 8
ClC1=CSC(=C1)C1CCCC[NH2+]1 0.3840000033378601 9
CC1=CC(=NO1)C1CCCC[NH2+]1 0.3840000033378601 5
CC1=CC=CC2=C1NCCC2 0.383838415145874 11
C1CC(CC[NH2+]1)N1C=CC=C1 0.38297873735427856 11
[NH3+]C1CCN(CC2=CC=CO2)CC1 0.38235294818878174 11
CC1=NOC(C)=C1C1CCC[NH2+]1 0.3816794157028198 11
OC1=CC=CC=C1C1CC[NH2+]CC1 0.3814432621002197 11
CC1(CNC(=S)N1)C1=CC=CC=C1 0.3809523582458496 11
CC1=CC=C(N=C1)N1CC[NH2+]CC1 0.3809523582458496 9
CCC1=CC=C2NCCCC2=C1 0.3799999952316284 10
CC1=CC=C2NCCCC2=C1 0.3799999952316284 11
CC1CCC[NH+](C1)C1CCCC1 0.37974679470062256 10
NC1=CC=C(N=C1)N1CCCC1 0.37962961196899414 8
CC1=CC(=NO1)C1CCC[NH2+]1 0.3790322542190552 9
OC1=CC=CC(=C1)C1CC[NH2+]CC1 0.378947377204895 11
CC1=CC=CC(N2CCCC2)=C1C 0.37755101919174194 11
COC1=CC=C(C=C1)C1CC[NH2+]C1 0.3762376308441162 8
CC1=CC=C2CCCNC2=C1 0.3762376308441162 11
ClC1=CC=C2CCCCNC2=C1 0.3761467933654785 11
CC1=NOC(=C1)C1CCC[NH2+]1 0.37599998712539673 9
N#CC1=CC=C(C=C1)N1CCCC1 0.375 11
N1C=CC(=C1)C1=CC=CN=C1 0.375 11
CC1=CC=CC(=C1)N1CCC(O)C1 0.375 11
CN1C=CC(=N1)C1CCCC[NH2+]1 0.3739837408065796 5
ClC1=CC=C(C=C1)C1COCC[NH2+]1 0.37383174896240234 9
N#CC1=CC=CC(=C1)N1CCCC1 0.3737373352050781 11
ClC1=CC=C(N=C1)N1CCCC1 0.37272727489471436 7
ClC1=CC=C2NCCCCC2=C1 0.37272727489471436 11
CC1CNC2=CC=CC=C2C1 0.37254905700683594 11
CC1=CC=C(C=C1)N1CCC(O)C1 0.37254905700683594 11
CC1CC[NH+](CC1)C1CCCC1 0.3717948794364929 10
ClC1=CC=CC2=C1NCCCC2 0.37168145179748535 11
ClC1=CC=CC2=C1CCCCN2 0.37168145179748535 11
OCC1=CC=C(C=C1)N1CCCC1 0.37113404273986816 10
CC1=CC=CN=C1N1CC[NH2+]CC1 0.37037038803100586 9
CC1=CC=C(C)N1C1CC[NH2+]CC1 0.37037038803100586 11
CCC1=NOC(=C1)C1CCC[NH2+]1 0.3700787425041199 10
OCC1=CC=CC(=C1)N1CCCC1 0.3700000047683716 10
CC1CCNC2=CC=CC=C12 0.36893200874328613 11
CN1C=CC(=N1)C1CCC[NH2+]1 0.36885249614715576 9
ClC1=CC=CN=C1N1CCCC1 0.3684210777282715 7
O=C1CCCC1C1=CC=CC=N1 0.3679245710372925 10
OC1CC[NH+](CC2=CSC=C2)CC1 0.365384578704834 11
CC1CN(CC[NH2+]1)C1=CC=CC=N1 0.365384578704834 9
CC1=C(Cl)C=CC=C1N1CCCC1 0.365384578704834 11
CC1=CC=C(C[NH+]2CCCCC2)O1 0.365384578704834 11
OC1CC[NH+](CC2=CC=CS2)CC1 0.3644859790802002 11
CC1CCCC[NH+]1C1CCCC1 0.3636363744735718 10
CN1N=CC=C1C1CCC[NH2+]1 0.3629032373428345 9
NC1=CC=CN=C1N1CCCC1 0.36283183097839355 8
[NH3+]C1CCN(CC1)C1=CC=CC=C1 0.36263740062713623 10
CN1N=C(C=C1C)C1CCC[NH2+]1 0.36220473051071167 11
OC1C[NH2+]CC1C1=CC=CC=C1 0.36190474033355713 5
OC1(CC[NH2+]C1)C1=CC=CC=C1 0.36190474033355713 9
CC1=CC=C(C=C1)C1(O)CC[NH2+]C1 0.36190474033355713 11
CC1=CC=CC2=C1CCCN2 0.36190474033355713 11
CC[NH+]1CC2=CC=CC=C2C1 0.3604651093482971 11
N#CC1=CC=CC=C1N1CCCC1 0.36000001430511475 11
CC1=CC(Cl)=CC=C1N1CCCC1 0.35922330617904663 11
CC1=CC=C(Cl)C=C1N1CCCC1 0.35922330617904663 11
C[NH+]1CCN(CC2=CC=CN2)CC1 0.35353535413742065 9
CC1=NOC(C[NH+]2CCCCC2)=C1 0.3534482717514038 7
O=C1CC(CN1)C1=CC=CC=C1 0.35238099098205566 6
CC1(CNC(=O)C1)C1=CC=CC=C1 0.35238099098205566 10
CC1=CC=CC(=C1)N1CCCC1=[NH2+] 0.35185182094573975 9
CN1N=C(C)C=C1C1CCC[NH2+]1 0.35114502906799316 11
ClC1=CC=CC=C1C1COCCN1 0.35087716579437256 11
OCC1=CC=CC=C1N1CCCC1 0.34951460361480713 10
CC1=CC=C(C=C1)N1CCCC1=[NH2+] 0.349056601524353 9
CCN1C=CC(=N1)C1CCC[NH2+]1 0.3488371968269348 10
C1CCC(C1)NC1=CC=CC=C1 0.34831464290618896 10
CC[NH+]1CCCN2C=CC=C2C1 0.3474576473236084 11
C1CC(C[NH2+]1)C1=CN=CC=N1 0.3465346097946167 11
CC1=CSC=C1C1=CC=CN=C1 0.3457943797111511 9
NC1CCC[NH+](C1)C1CCCC1 0.34567904472351074 11
COC1=CC=C2C[NH2+]CCC2=C1 0.3454545736312866 10
COC1=CC=C2CC[NH2+]CC2=C1 0.3454545736312866 10
CC1=CC=CC=C1C1CNC(=O)C1 0.3454545736312866 10
O=C1CC[NH+](CC1)C1CCCC1 0.3452380895614624 11
OC1(CC[NH2+]C1)C1=CC=C(Cl)C=C1 0.3451327085494995 11
CC1=CC=CC=C1C1(O)CC[NH2+]C1 0.3451327085494995 11
CC1=C(SC=C1)C1=CC=CN=C1 0.3448275923728943 9
ClC1=CC=CC=C1C1CNC(=O)C1 0.34188032150268555 10
CN1CCCCC1C1CCC[NH2+]1 0.34146344661712646 7
OC1CCN(CC1)C1=CC=CC=C1 0.3402061462402344 11
C1CCN(C1)C1=CC=CC=C1 0.33707869052886963 9
CCC1=CC=CC2=C1NCC2 0.33663368225097656 10
CCC1=CC=C2NCCC2=C1 0.33663368225097656 10
OC1CCC[NH+](CC2=CSC=C2)C1 0.33636367321014404 11
CC1=CC=CC=C1N1CCCC1=[NH2+] 0.33636367321014404 9
ClC1=CC=C(C=C1)C1CNC(=O)C1 0.33628320693969727 10
CC1[NH2+]CCOC2=CC=CC=C12 0.33620691299438477 11
CCN1N=CC=C1C1CCC[NH2+]1 0.33582091331481934 10
O=C1NC(CO1)C1=CC=CC=C1 0.3333333730697632 8
OC1CC[NH+](CC1)C1CCCC1 0.3333333730697632 10
[NH3+]CC1CCN(C1)C1=CC=CC=C1 0.3333333730697632 9
NC1=CC=C(C=C1)N1CCCC1 0.3333333730697632 6
COC1=CC=CC2=C1CC[NH2+]C2 0.3333333730697632 10
ClC1=CC=CC(=C1)C1CNC(=O)C1 0.33043479919433594 10
ClC1=CC=CC(=C1)N1CCCCC1 0.33000004291534424 11
CC1CCN(CC1)C1CC[NH2+]C1 0.32941174507141113 7
CN1CC[NH+](CC1)C1CCCC1 0.32926833629608154 6
CCN1CC[NH+](CC1)C1CCCC1 0.32926833629608154 11
CC1[NH2+]CCOC1C1=CC=CC=C1 0.32743358612060547 9
OCC1CCN(C1)C1=CC=CC=C1 0.3267326354980469 10
ClC1=CC=C(C=C1)N1CCCCC1 0.3265305757522583 11
NC1=CC=CC(=C1)N1CCCC1 0.32608699798583984 6
CC1=CC=C(N=C1)N1C=CC=C1 0.32407402992248535 7
C1CC(C[NH2+]1)C1=NC=CC=N1 0.3232322931289673 11
C1CC(C[NH2+]1)NC1=CC=CC=C1 0.3229166269302368 10
CC1(COC(=O)N1)C1=CC=CC=C1 0.3223140239715576 10
NC1CC[NH+](C1)C1CCCCC1 0.3214285373687744 11
CC1=CC=NC(=C1)N1CC[NH2+]CC1 0.32110095024108887 9
CN1CCCC1C[NH+]1CCCC1 0.32098764181137085 11
OC1=CC=CC=C1N1CCCCC1 0.3203883171081543 11
C[NH+]1CCC(C1)OC1=CC=CN=C1 0.3189655542373657 7
OC1=CC=C(C=C1)C1CCCC1 0.31868135929107666 5
CC1CCC(C1)[NH+]1CCOCC1 0.31868135929107666 8
CN1C=NC(=C1)C1=CC=CN=C1 0.3185840845108032 11
OC1CCCCC1C1=CC=CC=N1 0.3181818127632141 11
N1C=CC=C1C1=CC=CN=C1 0.317307710647583 11
OC1=C(SC=C1)C1=CC=CN=C1 0.31707316637039185 11
OC1CCN(C1)C1=CC=CC=C1 0.31683170795440674 5
OC1=CC=CC(=C1)N1CCCCC1 0.31683170795440674 11
C1NC=[NH+]CC1C1=CC=CC=C1 0.31683170795440674 10
O=C1NC(CC2=CC=CC=C2)CO1 0.3166666626930237 9
NC1=CC=CC=C1N1CCCC1 0.31578946113586426 6
CC1CCC(CC1)N1C=CC=C1 0.31578946113586426 9
[NH2+]=C1CCCN1C1CCCCC1 0.31521737575531006 11
C[NH+]1CCC(C1)OC1=CC=CC=N1 0.31355929374694824 7
OC1=CC=CC=C1C1CCCC1 0.3125 5
C1CNC(=[NH+]C1)C1=CC=CC=C1 0.31192660331726074 10
OC1CCCC1[NH+]1CCCCC1 0.31111109256744385 10
N#CC1=CNC=C1C1=CC=CC=C1 0.3106796145439148 11
ClC1=CC=CC(=C1)N1CCCC1 0.3100000023841858 5
CN1C=C(C=N1)C1=CC=NC=C1 0.30841124057769775 11
ClC1=CC=CC=C1C1=[NH+]CCN1 0.307692289352417 6
NC1=CC=CC(=C1)C1=[NH+]CCN1 0.30701756477355957 11
NC1=CC=C(C=C1)C1=[NH+]CCN1 0.30630630254745483 11
CC1=CC=CN=C1N1C=CC=C1 0.30630630254745483 7
ClC1=CC=C(C=C1)N1CCCC1 0.30612242221832275 5
CC1=CC=CC2=C1NCC[NH2+]C2 0.3047618865966797 11
C1C[NH+]=C(N1)C1=CC=CC=C1 0.3047618865966797 10
OC1=CC=C(C=C1)C1CCCCC1 0.30434781312942505 11
O=C1NCCN1CC1=CC=CC=C1 0.30392158031463623 7
ClC1=CC=CC=C1CC1=[NH+]CCN1 0.3025209903717041 9
CC1=CC=C(C=C1)C1=[NH+]CCN1 0.30188679695129395 4
CC1=CC=C2NCC[NH2+]CC2=C1 0.30188679695129395 11
ClC1=CC=C(C=C1)C1=[NH+]CCCN1 0.3017241358757019 8
OC1CCC(C1)C1=CC=CC=C1 0.301075279712677 5
OC1=CC=CC=C1N1CCCC1 0.3009709119796753 5
ClC1=CC=C(C=C1Cl)N1CCCC1 0.3009709119796753 11
ClC1=CN=CC(=C1)C1=CSC=C1 0.29914534091949463 11
CC1=CC=CC(=C1)C1=[NH+]CCN1 0.29906541109085083 4
OC1=CC=CC=C1C1CCCCC1 0.298969030380249 11
CC1=CC=CC(=C1)C1CCCC1O 0.298969030380249 11
CN1CC[NH+]=C1CC1=CC=CC=C1 0.2982456088066101 7
CN1C=CC=C1C1=CC=CN=C1 0.2982456088066101 7
CC1=CC=CC(=N1)N1CC[NH2+]CC1 0.2982456088066101 9
O=C1CCN(C1)C1=CC=CC=C1 0.29807692766189575 10
C[NH+]1CCN(CC1)C1=CC=CC=N1 0.29807692766189575 8
C[NH+]1CCN(CC2=COC=C2)CC1 0.2970297336578369 7
ClC1=CC=CC(N2CCCC2)=C1Cl 0.29629629850387573 11
C1CC(CC[NH2+]1)N1C=CC=N1 0.29629629850387573 11
CC1=CC=C(OC2CC[NH2+]C2)C=N1 0.29600000381469727 8
[NH2+]=C1CCCN1C1=CC=CC=C1 0.2952381372451782 5
ClC1=CN=C(N=C1)N1CCCC1 0.2952381372451782 11
ClC1=CC=C(NC2CC[NH2+]C2)C=C1 0.2952381372451782 10
C1CC(CC[NH2+]1)N1C=CN=C1 0.2952381372451782 11
C(C1=NC=CN1)C1=CC=CC=C1 0.2947368621826172 10
OC1CCN(C1)C1=CC=CC(Cl)=C1 0.2946428656578064 11
C(C1=[NH+]CCN1)C1=CC=CC=C1 0.29357796907424927 9
OC1CCCCC1[NH+]1CCCC1 0.29347825050354004 10
OC1CCC(CC1)C1=CC=CC=C1 0.29347825050354004 11
CC1=CC=CC(=C1)N1C=CC=C1 0.2929292917251587 11
OC1=CC=C(Cl)C=C1C1CCCC1 0.2924528121948242 11
OC1CCCC1C1=CC=CC=C1 0.2916666269302368 5
CC1CN(CC[NH2+]1)C1=CC=CC=C1 0.2916666269302368 7
CC1=CC=C(C=C1)C1CCCC1O 0.2916666269302368 11
CC(C)C1=C2CCCCC2=NN1 0.2905982732772827 10
OC1=CC=C(C=C1)C1=[NH+]CCN1 0.28947365283966064 10
CC1=CN(CC2CC[NH2+]CC2)N=C1 0.28947365283966064 8
OC1(CCCC1)C1=CC=CC=C1 0.28865981101989746 9
COC1=CC=C(C=C1)C1=[NH+]CCN1 0.2881355881690979 11
OC1CCCC(C1)C1=CC=CC=C1 0.2872340679168701 11
ClC1=CC=CC(=C1)C1=[NH+]CCN1 0.2869565486907959 6
ClC1=CC=C(C=C1)C1=[NH+]CCN1 0.2857142686843872 6
CC1=CC=C(C=C1)N1C=CC=C1 0.2857142686843872 11
C1CC(C[NH2+]1)OC1=CC=CN=C1 0.2844827175140381 10
[NH3+]CC1=CC=C(C=C1)N1C=CN=C1 0.2844036817550659 11
C[NH+]1CCN(CC1)C1=CC=CN=C1 0.28431373834609985 8
C[NH+]1CCN(CC2=CC=CO2)CC1 0.2830188274383545 7
C(N1CC[NH2+]CC1)C1=CC=CO1 0.2830188274383545 10
CN1CCCC1=[NH+]C1=CC=CC=C1 0.281818151473999 6
OC1=CC=CC=C1C1=[NH+]CCN1 0.28099173307418823 10
CC1=CC=CC(C)=C1C1=[NH+]CCN1 0.28070175647735596 10
CC1=CC=C(CN2CC[NH2+]CC2)S1 0.28037381172180176 8
OC1=CC=CC(=C1)C1=[NH+]CCN1 0.27966105937957764 10
CC1NC(=O)OC1C1=CC=CC=C1 0.27941179275512695 10
ClC1=CN=CC=C1N1CC[NH2+]CC1 0.27927929162979126 11
CN1CC[NH+](CC2=CC=CS2)CC1 0.2788461446762085 7
C(N1CC[NH2+]CC1)C1=CC=CS1 0.2788461446762085 10
COC1=CC=CC(=C1)C1=[NH+]CCN1 0.27868854999542236 11
CC1=NC(C[NH+]2CCCCC2)=CS1 0.27868854999542236 7
CC1=CN=C(C[NH+]2CCCCC2)O1 0.27868854999542236 7
OC1CCCCC1C1=CC=CC=C1 0.27835047245025635 11
CC1=CC=CC(C2=[NH+]CCN2)=C1C 0.27826082706451416 10
O=C1CCCN1C1=CC=CC=C1 0.2777777910232544 8
CC1=CC=CC=C1N1C=CC=C1 0.2772277593612671 11
OC1(CCCC1)C1=CC=C(Cl)C=C1 0.27619051933288574 11
ClC1=CC=C(N=C1)N1CC[NH2+]CC1 0.27586209774017334 11
CC1=CC=C(NC2=[NH+]CCC2)C=C1 0.27586209774017334 10
[NH3+]CC1=CC=CC(=C1)N1C=CC=N1 0.2749999761581421 11
ClC1=CC=CN=C1N1CC[NH2+]CC1 0.2749999761581421 11
CC1=CSC(=N1)C1=CC=CN=C1 0.2748091220855713 11
CC1=CC=CC(=C1)C1=CC=CN1 0.2745097875595093 9
ClC1=CC=C(C=C1)N1CCCC1=[NH2+] 0.2743362784385681 9
OC1CCCC1C1=CC=CC(Cl)=C1 0.27358490228652954 11
CC1C[NH2+]CC(O1)C1=CC=CC=C1 0.27358490228652954 9
C1COC(C[NH2+]1)C1=CC=CC=C1 0.27358490228652954 11
N#CC1=C(NC=C1)C1=CC=CC=C1 0.27350425720214844 11
CC(C1CCC[NH2+]1)N1C=CC=N1 0.27350425720214844 10
COC1=CC=CC=C1C1=[NH+]CCN1 0.2734375 11
O=C1CN=C(N1)C1=CC=CC=C1 0.27272725105285645 10
CC1=C(N=CN1)C1=CC=NC=C1 0.27272725105285645 9
CC1=CC=C(CN2CC[NH2+]CC2)O1 0.27272725105285645 8
CC1=CC=CC(=C1)N1CC[NH2+]CC1 0.27272725105285645 7
C1CCC([NH2+]C1)C1=NC=CS1 0.2720000147819519 11
ClC1=CC=CC=C1C1C[NH2+]CCO1 0.2711864709854126 9
C(C1CCC[NH2+]C1)N1C=CN=C1 0.2710280418395996 10
CC1=CC=C(C=C1)C1C[NH2+]CCO1 0.2710280418395996 9
ClC1=CN=CC(=C1)N1CC[NH2+]CC1 0.269565224647522 11
[NH3+]C1CN(C(=O)C1)C1=CC=CC=C1 0.2689075469970703 11
CC1C[NH2+]CCN1C1=CC=CC=C1 0.2680412530899048 7
CC1=CC=C(C=C1)N1CC[NH2+]CC1 0.2680412530899048 7
ClC1=CN=CN=C1C1CCCC1 0.2678571343421936 7
CC1=CSC(=N1)N1CCCCC1 0.26771652698516846 9
[NH3+]CC1=CC=CC=C1N1C=CN=C1 0.26724135875701904 11
CC1=NC(=CS1)C1=CC=CN=C1 0.267175555229187 11
C(C1CC[NH2+]CC1)N1C=CN=C1 0.2666666507720947 10
C(C1CC[NH2+]CC1)N1C=CC=N1 0.26605504751205444 10
CN1C=NC(=C1)C1=CC=CC=C1 0.2654867172241211 7
ClC1=CC=C(C=C1)C1C[NH2+]CCO1 0.2654867172241211 9
CC1=CC=C(OC2CC[NH2+]C2)C=C1 0.2654867172241211 8
C1CC(CC[NH2+]1)C1=NC=CS1 0.2654867172241211 11
C[NH+]1CCN(CC2=CSC=C2)CC1 0.2647058963775635 7
C(N1CC[NH2+]CC1)C1=CSC=C1 0.2647058963775635 10
O=C1NCCN1C1=CC=CC=N1 0.2615385055541992 10
CC1=CC=CC(OC2CC[NH2+]C2)=C1 0.260869562625885 8
CC1=CC=CC=C1N1CC[NH2+]CC1 0.25999999046325684 7
CC1=NN(C2CC[NH2+]CC2)C(C)=C1 0.25954198837280273 9
CC1=CC=C(C=C1)C1=CN=CO1 0.2589285373687744 9
OC1=CC=C(C=C1)C1=CN=CO1 0.2586206793785095 11
ClC1=CC=CC(=C1)C1C[NH2+]CCO1 0.2586206793785095 9
CC1=CN(C=N1)C1=CC=CN=C1 0.2586206793785095 11
ClC1=C(CN2CC[NH2+]CC2)SC=C1 0.25833332538604736 10
CC1=NNC(=C1)C1=CC=CC=N1 0.25833332538604736 9
N1C=CC=C1C1=CC=CC=N1 0.25742578506469727 11
CC1=C(N=CN1)C1=CC=CC=C1 0.2568807601928711 5
CN1C=NN=C1C1CC[NH2+]CC1 0.25641024112701416 9
ClC1=CC=CC(=C1)[NH+]=C1CCCN1 0.25641024112701416 8
CC1=CC=CC=C1OC1CC[NH2+]C1 0.25641024112701416 8
ClC1=CN=CC(OC2CC[NH2+]C2)=C1 0.25581395626068115 10
N1C=C(C=N1)C1=CC=CC=C1 0.25531911849975586 11
CC1=CC=C(C=C1)C1=CC=CN1 0.2549020051956177 9
ClC1=CC=C(C=C1)C1=CC=CN1 0.25471699237823486 9
CC1=CC=CC(=C1)N1C=CN=C1 0.2545454502105713 7
OC1=CNC(=C1)C1=CC=CC=C1 0.25438594818115234 9
[NH3+]CC1=CC=C(C=C1)N1C=CC=N1 0.2542372941970825 11
ClC1=CC=C(C=C1)C1=CN=CO1 0.2542372941970825 11
CC1=CN=C(C[NH+]2CCCC2)O1 0.2540983557701111 9
CC1=CC=C(C=C1)C1=CNN=C1 0.2526315450668335 5
CC1=C(C)N=C(S1)C1CC[NH2+]CC1 0.2518518567085266 9
NC1=CC=CC(=C1)C1=CC=CS1 0.25 10
ClC1=CC=CC=C1C1=CN=CO1 0.25 11
CC1=NC(=NO1)C1CCC[NH2+]C1 0.24806201457977295 9
ClC1=CSC(CN2CC[NH2+]CC2)=C1 0.24793386459350586 10
ClC1=CC=CC(=C1)C1=CN=CO1 0.24793386459350586 11
O=C1NCCN1C1=CC=NC=C1 0.24786323308944702 10
CC1=NC=CN1CC1CCC[NH2+]C1 0.24786323308944702 8
CN1C=CC=C1C1=CC=CC=N1 0.24778759479522705 7
ClC1=CN=CN=C1C1CCCCC1 0.24778759479522705 11
CC1=CC=CC(=N1)C1OCCO1 0.24778759479522705 11
OC1=CC=C(C=C1)C1CCCO1 0.24770641326904297 7
OC1=CC=C(C=C1)C1=CC=CN1 0.24770641326904297 9
C1CCC(CC1)C1=NNC=C1 0.24761903285980225 9
CN1CCCNC2=CC=CC=C12 0.24752473831176758 11
ClC1=CC=C(C=C1)C1=CNN=C1 0.24752473831176758 7
O=C1NC=CN1CC1=CC=CC=C1 0.24576270580291748 9
ClC1=CC=C(C=C1)C1=CON=C1 0.24561405181884766 11
CC1=CC=C(C=C1)C1=CC=NS1 0.2454545497894287 9
N1C=NC(=C1)C1=CC=CC=C1 0.24528300762176514 11
CC1=CSC=C1C1CCCCC1 0.24528300762176514 11
CC1=NOC(=N1)C1CCCCN1 0.24475526809692383 11
[NH3+]CC1=CC=CC=C1N1C=CC=N1 0.24409449100494385 11
CC1=NN=C(S1)C1CC[NH2+]CC1 0.24347823858261108 9
CC1=NC=CN1CC1CC[NH2+]CC1 0.24347823858261108 8
[NH3+]C1CCCC1N1C=CN=C1 0.2429906725883484 10
CC1=CC=C(C=C1)C1=CNC=N1 0.2429906725883484 5
CN1C=NN=C1C1CCC[NH2+]C1 0.24193549156188965 9
CC1=NC=C(O1)C1=CC=CC=C1 0.24193549156188965 9
OC1=CSC=C1C1=CC=NC=C1 0.24166667461395264 11
CN1C=NC=C1C1=CC=CC=C1 0.24137932062149048 7
OC1=CC=CC(=C1)C1=CNN=C1 0.24038457870483398 11
ClC1=CC=CC(=C1)C1=CNN=C1 0.24038457870483398 7
CC1=NC=C(S1)C1=CC=CC=C1 0.23966944217681885 9
NC1=CC=CC=C1C1=CC=CS1 0.23931622505187988 10
CC1=NOC(=N1)C1CCC[NH2+]C1 0.239130437374115 9
NC1=CC=CC(=C1)C1=CC=CO1 0.23893803358078003 10
CC1=C(C=NN1)C1=CC=CC=C1 0.23853212594985962 5
CC1=CC=C(C=C1)N1C=CN=C1 0.23853212594985962 7
O=C1NCC(O1)C1=CC=CC=C1 0.238095223903656 8
C1CCC(CC1)N1C=CN=C1 0.238095223903656 11
CC1=NC(=CN1)C1=CC=CC=C1 0.2368420958518982 5
CC1=NOC(=N1)C1CC[NH2+]CC1 0.23664122819900513 9
NC1=CC=C(C=C1)C1=CC=CS1 0.23636364936828613 10
ClC1=CC=CC(=C1)C1=CC=CN1 0.23636364936828613 9
NC1=CC=NN1C1CCCCC1 0.23333334922790527 8
CC1=NN(C=C1)C1CCCC1 0.23333334922790527 9
CC1(CNC(=O)O1)C1=CC=CC=C1 0.23255813121795654 10
ClC1=CC=C(C=C1)C1=CN=CN1 0.2321428656578064 7
CC1=C(C(C)=NN1)C1=CC=CC=C1 0.2321428656578064 11
CC1=CC=CC(=N1)N1C=CN=C1 0.23199999332427979 11
CC1=CC=NN1C1CCCC1 0.23140496015548706 9
ClC1=CC=C(N=C1)N1C=CC=C1 0.23076921701431274 9
O=C1NCCN1C1=CC=CN=C1 0.2301587462425232 10
CC1=CC=CC=C1N1C=CN=C1 0.230088472366333 7
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CC1=NN=C(S1)C1CCC[NH2+]C1 0.22764229774475098 9
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CC1=C(C)C(=NN1)C1=CC=CC=C1 0.22608697414398193 11
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C1CN(CC[NH2+]1)C1=CC=CC=C1 0.2083333134651184 9
CC1=CC=CC=C1N1CCNC1=O 0.20800000429153442 8
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CC1=CC=C(C=C1)N1C=NN=C1 0.20560747385025024 11
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CC1=NN=C(O1)C1CCC[NH2+]C1 0.20472443103790283 9
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NC1=CC=C(C=C1)C1=CSC=C1 0.20370370149612427 10
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CC1=C(Cl)C(=NN1)C1=CC=CC=C1 0.20168066024780273 11
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OC1=CC=C(C=C1)N1CC[NH2+]CC1 0.19999998807907104 11
ClC1=CC=CC(=C1)N1C=CC=C1 0.19999998807907104 11
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CC1=CC=C(C=C1)C1=NOC=C1 0.1982758641242981 9
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CC1=CSC(=N1)N1CC[NH2+]CC1 0.19696968793869019 9
CC1=CC=C(C=C1)C1=NC=CS1 0.1965811848640442 9
ClC1=CC=CC(=C1)N1CC[NH2+]CC1 0.1962617039680481 7
NC1=CC=CC=C1N1C=CC=C1 0.19607841968536377 8
OC1=CC=CC(=C1)N1CC[NH2+]CC1 0.1944444179534912 11
ClC1=CC=CC=C1N1C=CC=C1 0.1944444179534912 11
CC1=CC=C(C=C1)C1=NNC=C1 0.1944444179534912 5
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ClC1=CC=C(C=C1)N1C=CC=C1 0.19417476654052734 11
OC1=CC=C(C=C1)C1=NC=CS1 0.19354838132858276 11
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CN1C=CC(=N1)C1=CC=CC=C1 0.19166666269302368 7
ClC1=CC=C(OC2CC[NH2+]C2)C=C1 0.19166666269302368 8
CC1=CC=CC(=C1)C1=CSC=N1 0.19166666269302368 9
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[NH3+]CC1=NN(C=C1)C1=CC=CC=C1 0.18604648113250732 11
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CC1COC(O1)C1=CC=CC=C1 0.18518519401550293 9
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ClC1=CN(N=C1)C1CCOCC1 0.17829453945159912 11
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ClC1=CC=CC(=C1)C1OCCO1 0.1711711883544922 11
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CN1CCN(C1=O)C1=CC=CC=C1 0.16806721687316895 10
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ClC1=CC=C(C=C1)N1C=CN=C1 0.1666666865348816 9
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CC1=CC=NN1C1=CC=CC=C1 0.158730149269104 7
ClC1=CC=C(C=C1)N1CCNC1=O 0.15625 10
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CC1=CC=C(C=C1)C1=NN=CO1 0.1551724076271057 11
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CC1=CC=C(O1)C1=NNC=C1 0.15441179275512695 11
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CC1=NOC(=N1)C1=CC=CC=C1 0.14705884456634521 11
NC1=CC=C(C=C1)N1C=CC=N1 0.14406776428222656 10
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ClC1=CC=C(C=C1)N1C=CC=N1 0.13821136951446533 9
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NC1=CN(N=C1)C1=CC=CC=C1 0.13709676265716553 10
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CC1=CN(N=N1)C1=CC=CC=C1 0.12096774578094482 11
CC1=CN=NN1C1=CC=CC=C1 0.11811023950576782 11