Spaces:
Paused
Paused
| smiles,gap | |
| CCN1C2C3OC2C13,0.2855 | |
| c1[nH]c2c([nH]nc2n1)N,0.2103 | |
| COc1[nH]nc(n1)N,0.2472 | |
| CC(C)C(=NO)C(C)C,0.257 | |
| CC1C2CCC1(C)C2O,0.3312 | |
| O=COCC(C=O)C#C,0.2208 | |
| C1C23OC=NC12C1OC31,0.2144 | |
| c1cc(c(c(c1)N)N)N,0.2124 | |
| CC1(C#N)C2NC(=O)C12,0.2375 | |
| C1CC(C1)C2(CCC2)O,0.3196 | |
| CC12C3C4C(C14O)C23O,0.2827 | |
| Cn1cc(c(c1)O)O,0.2319 | |
| CC1CC(=O)COCO1,0.2179 | |
| Cc1[nH]c(cn1)CC#C,0.2416 | |
| COc1c2n(nn1)CC2,0.2255 | |
| Cc1c(c([nH]n1)O)NC,0.2534 | |
| N=C1OC(C#N)C2CC12,0.2745 | |
| c1c(c(oc(=O)n1)F)N,0.1559 | |
| CCNC(=O)C1CC1O,0.253 | |
| CCc1ccnc(n1)O,0.2147 | |
| CC1=C(NC=N1)C1CO1,0.2342 | |
| O=C1NC(C#N)C2CN12,0.2766 | |
| N=C1OCC2CC3C2N13,0.2712 | |
| CC(=O)C1CCOC1,0.2312 | |
| N=C1CC(=O)CN1C=O,0.1998 | |
| C#CCC1(CN1)C#C,0.2812 | |
| C#CCCN(C=O)C=O,0.2153 | |
| OC12C=CC3CC1C23,0.2367 | |
| Cc1c(c[nH]c1C#N)N,0.1862 | |
| CC1CC1(O)C1CO1,0.3239 | |
| CCC12OC3CC1CC23,0.3216 | |
| CC1CC=CCC11CO1,0.2686 | |
| FC1=NC(=N)N=C(F)O1,0.2361 | |
| C1C2CC3(CC4NC34)N12,0.3041 | |
| c1cn2c(n1)CCC2,0.2512 | |
| O=C1CCC2(CCO2)C1,0.2204 | |
| N1C=CN=CC=CN=C1,0.1777 | |
| COC1OC(=O)C=C1C,0.2229 | |
| CC12CC(C)(C1)OCO2,0.3247 | |
| OC12COC1C(=O)C=C2,0.1748 | |
| CC12CN1CC1OC21C,0.2948 | |
| OC1C(O)C2OCOC12,0.2931 | |
| CC1C2CC2C2COC12,0.318 | |
| Cc1c(c(n[nH]1)C)C=O,0.2071 | |
| CC12CC(C1)C2C(N)=O,0.2664 | |
| CC12CC3NC3(C)C1N2,0.3203 | |
| C#CCc1cc[nH]c1N,0.2363 | |
| c1nc(nnn1)O,0.1675 | |
| CC(O)C(CCO)C#N,0.3117 | |
| C#CCC1(CC1)C#N,0.3005 | |
| NC1=CC(=O)C2CC1O2,0.187 | |
| CC12CC(O)C(O)C1N2,0.2874 | |
| CC1OCC(C)(C)C1O,0.3045 | |
| CC1NC1(C=O)C1CC1,0.2186 | |
| C1CC(=NCCO)OC1,0.2596 | |
| CN1CC(O)C1=O,0.2678 | |
| N=C1NN=CN=CC1=O,0.1412 | |
| OCC12C3C4CC1C4N23,0.3057 | |
| CC(C)C12CC1(C)CO2,0.3027 | |
| c12c(n[nH]c1[nH]nn2)N,0.2007 | |
| OC1C(COC1=O)C=O,0.2273 | |
| COC(=O)CCC1CO1,0.2829 | |
| C1C2CC(C12)C1CCO1,0.3256 | |
| C1CC2CCC3OC23C1,0.3296 | |
| CC12OC3C4C(CC14)C23,0.3183 | |
| CC12CC1C1OCC1C2,0.3155 | |
| CCN=C1N=CNN=N1,0.165 | |
| N=CN1CC1(C=O)C#C,0.2102 | |
| CN(CCOC=N)C=O,0.2678 | |
| CC(O)C1N2CCC12C,0.2966 | |
| CC12C3C(N=CN13)C2=O,0.1988 | |
| CN1CCCC(O)C1=O,0.2605 | |
| c1cn(cn1)C=O,0.1969 | |
| OC1C2CC1C21CO1,0.312 | |
| C#CC1OC2CC1CO2,0.2836 | |
| COC1C2OC(=O)OC12,0.3065 | |
| CC1C2N3CC3C12C#N,0.2467 | |
| N#CC1CC2C3CC2C13,0.3425 | |
| C1C2C3C=CC1C1C3N21,0.2453 | |
| O=CCC12CC1CC=C2,0.2141 | |
| COC1CC2C(O)C2O1,0.2961 | |
| CN=COCCOC,0.277 | |
| N#CC1CC(C1)C#N,0.3194 | |
| OCC1OC(CO)C=C1,0.2413 | |
| O=COC(CC#N)C#N,0.2801 | |
| c1c(nc(c(n1)N)O)F,0.1748 | |
| CN1CC(=N)N(C)C1=O,0.2435 | |
| CC1NC1(CC=O)C#C,0.2179 | |
| O=C1CCC2OCC2O1,0.2734 | |
| CC1(C)CC(O)C2CN12,0.2972 | |
| CC1(O)C2C3NC3C12,0.2729 | |
| C(CO)c1c(non1)N,0.2122 | |
| OCC1NCC1=O,0.2163 | |
| CCC1OC(=NC)C1C,0.278 | |
| OCC1CCN2CC2C1,0.2891 | |
| CC12C3C4CC1(O)C2C34,0.2837 | |
| CC1COCC=C1C#C,0.2108 | |
| CC1CC2(CC2O)C1O,0.3049 | |
| CN=COc1cocn1,0.2198 | |
| CC(=O)C1(CN1)C#N,0.2327 | |
| ON=C1C2C3CC1CC23,0.2498 | |
| CC12OC(=N)C1C1NC21,0.2693 | |
| C#Cc1ccnc(c1)F,0.2052 | |
| O=C1C2COC2C11CO1,0.1954 | |
| CC(=O)NCC(=O)C#N,0.1629 | |
| OC1C2CN2C(=O)C1=O,0.1487 | |
| O=C1OCC2C(C#C)C12,0.2619 | |
| CCc1c(nn[nH]1)OC,0.2172 | |
| C#CC(=NO)CC1CC1,0.2065 | |
| OC12CC1C(O)(C2)C#N,0.2886 | |
| c1[nH]c(c(n1)N)O,0.2385 | |
| NC1=C(O)N=NNC1=O,0.1578 | |
| CCN1CC(N)C1C#N,0.2544 | |
| CC(=O)n1nc(nn1)O,0.1994 | |
| CCC1(O)COC1C#C,0.2703 | |
| c1c([nH]cn1)C2CCC2,0.2454 | |
| OC1CCCC11CCO1,0.2995 | |
| CC(C)C1C(C)C1(C)O,0.3095 | |
| CC1=CC(C)(O)CC1=O,0.1954 | |
| CC1C2(O)CC1(O)C=C2,0.2401 | |
| C1CC2OC1CC1OC21,0.3279 | |
| C1CC23OC2CNC3=N1,0.2422 | |
| CC1=C(C)C(CO)CC1,0.2534 | |
| CC1(C)CC1C1CCC1,0.335 | |
| c1coc2c1CC=C2,0.1794 | |
| CC1=C2NCC2OC1=O,0.2003 | |
| CC12C3C4C=C1CC4N23,0.1222 | |
| CCC1(NC1C#C)C#C,0.2544 | |
| CC12CC3C(O)C(C1)N23,0.2804 | |
| CC1(CN1)C1=CC=CO1,0.2297 | |
| C1C(CO1)(C(=O)N)N,0.2625 | |
| CC(C=O)C1NC1C=O,0.2214 | |
| C#CC1NC1CC1CC1,0.28 | |
| OC1C2C1C1OCC21,0.3043 | |
| CN=C1OC(C)CC1C,0.2721 | |
| CC1CN=C(C1)OC=O,0.2426 | |
| OC1CC11CC2CC12,0.3043 | |
| COC1OCC=CC=C1,0.1916 | |
| OCC12CCC3C1CC23,0.3369 | |
| OC1C2C3CC1CN23,0.3027 | |
| CC12OC3(C)C1CC23,0.3192 | |
| CC12CC3(C)C1CN23,0.3202 | |
| OCC1=NON=NC1=N,0.1754 | |
| CN=C1OC(C)OC1=O,0.1974 | |
| CC12CN1C(=O)C1CC21,0.2352 | |
| CNc1c(n[nH]c1O)N,0.2542 | |
| Cc1ccc(c(=O)[nH]1)F,0.1774 | |
| CC12NCC1C2(N)C#N,0.2661 | |
| CC12NC3C(C1=O)C23O,0.2275 | |
| ON=C1CC2C(O)C12,0.2438 | |
| OC12COC1C1COC21,0.2875 | |
| CCc1ccccc1,0.241 | |
| CC1NC(=O)C1(N)C#C,0.258 | |
| CC12C3CC1(CN23)C#C,0.2619 | |
| CC1COC(=N)C2NC12,0.2637 | |
| CCC1C2COC(C)C12,0.3229 | |
| OC1C2CC1(O)CC2O,0.3162 | |
| CN(C)C(=O)NCC#N,0.2646 | |
| C(C#N)N=C(C#N)N,0.2242 | |
| CC#CCc1cc[nH]c1,0.2504 | |
| CC12C3CC1(NC23)C#N,0.2522 | |
| FC(F)(F)C1(CN1)C=O,0.2263 | |
| CC12C3CC=C1COC23,0.1997 | |
| O=C1OC2COC12C#N,0.2354 | |
| c1c[nH]c(=O)cc1F,0.1857 | |
| CC12CC3(C)C1CC23O,0.3177 | |
| O=CC(CN1CC1)C#C,0.2128 | |
| O=C1C2CC3(C2)OCC13,0.222 | |
| N=C1NC=NC11COC1,0.2194 | |
| CC(O)C1CNC(=O)O1,0.3134 | |
| c1c-2n[nH]nnc2cn1,0.1295 | |
| CN=C1OCC2C1N2C,0.251 | |
| CC(C#N)N1CCC1,0.2676 | |
| CC1OC11C2NC1C=C2,0.2233 | |
| CCC1(CCO1)C(C)=O,0.2159 | |
| CC1NC(=O)NC1(C)C,0.306 | |
| CC(=O)N1CC(C1)(C)C,0.2684 | |
| CCC(=O)C1(CN1)C#C,0.2241 | |
| CC(=O)C(C)(C)CC#C,0.2284 | |
| COC1CC2CC2(C)C1,0.3268 | |
| CNC1(CC1)C(=O)C#N,0.1586 | |
| C1N2C3CC4CC2C13C4,0.291 | |
| O1C2C1C1OC21,0.2955 | |
| CCn1c(c(nn1)O)O,0.2194 | |
| O=C1NCCC2OCC12,0.2636 | |
| O=C1C2C3CC1(C#C)N23,0.2257 | |
| OC1CNC2=C1N=NN2,0.2214 | |
| CC1C(O)C1([NH3+])C([O-])=O,0.2672 | |
| c1c(c(n[nH]1)C#N)C#N,0.2319 | |
| OCCC1(CO)CN1,0.3116 | |
| CC1OC1C1=NNC=C1,0.2497 | |
| CC1C2C3CN3C12C#C,0.2386 | |
| CC1CCC2C3CC3C12,0.3149 | |
| C1CC2CCC=CC2=C1,0.1948 | |
| C1C2CCC3OCC1C23,0.3086 | |
| OC1CC(=O)CC11CC1,0.2186 | |
| C1C(CC(=O)C1=O)CO,0.1429 | |
| CCC(C)C1(C)CC1O,0.3301 | |
| COC(C=O)C1CC1O,0.2114 | |
| CN=C1COC(O1)C#C,0.2705 | |
| C1CC1C(=O)C(=N)N,0.1845 | |
| CC1CC(C)(C1)OC=O,0.2764 | |
| OC1CNC2C1OC2=O,0.2368 | |
| CN=COCCC1CC1,0.2728 | |
| Cc1ccc(nc1)O,0.2063 | |
| O=CC1CN=C2OCC12,0.2143 | |
| C1NC11CCCC2NC12,0.2989 | |
| C#CCCN(C=N)C=O,0.226 | |
| OC12CC3C=CC(C1)C23,0.2524 | |
| CN1C(CO)C1C#N,0.2595 | |
| CC1CN1C1(C)CC1C,0.2998 | |
| CN=CNC(=NC)C#N,0.1826 | |
| COC12CC3C1C(C)C23,0.3388 | |
| C1C2C3C2C2C1OC32,0.3092 | |
| Cn1cc(nc1O)N,0.2299 | |
| CCN1CCCC(=O)C1,0.2048 | |
| O=C1C=CC2C3CC12N3,0.1734 | |
| CC(=O)C1(C)COC1=N,0.2259 | |
| C1C2CC3CCC2C13,0.3663 | |
| CCCC(=O)N1CC1C,0.2562 | |
| CC1OC1C#CC#C,0.2149 | |
| C#CC1CC(C1)C#N,0.2891 | |
| CC1(O)C2CCC12CO,0.3017 | |
| CCC12CC1CC2(C)O,0.3086 | |
| CC1(C)OC1(C=O)C#N,0.2139 | |
| CC(C)OC(C)CCO,0.3191 | |
| CC1OC2C3NC3C12C,0.2937 | |
| c1c(c(oc1N)O)N,0.2141 | |
| NC(=O)C1N=CN2CC12,0.2258 | |
| CCCc1cc(c[nH]1)C,0.2412 | |
| N=C1NC(=CO1)C1CC1,0.2183 | |
| CC(=O)C(C#C)C#N,0.2216 | |
| CC1CC2CC1COC2,0.3203 | |
| CCC12NC(C=C1)C2=O,0.2454 | |
| O=C1CC2CC2C=CN1,0.2083 | |
| COCCCCOC=O,0.2695 | |
| CC1=NC2CCC2(C)O1,0.2639 | |
| CC12CC1C1C=CCC21,0.2626 | |
| C1CC1(C#N)C(=O)C#N,0.208 | |
| N#CC1CC2(CN2)C1,0.2865 | |
| CC1CC(C1)C1CC1O,0.3303 | |
| OC1=C(F)N=CC(=N)O1,0.1442 | |
| NC(C(N)=[NH2+])C([O-])=O,0.2317 | |
| Cn1cnc(c1O)C=O,0.1984 | |
| OC12CCOC1C1OC21,0.2889 | |
| CNc1c[nH]cc1O,0.23 | |
| CC12OC1(CC2=O)C=O,0.1926 | |
| CC(CC#C)C(C)(C)O,0.3083 | |
| CC1CC2CC(=O)C2C1,0.2155 | |
| CN1CC2CCC(=O)C12,0.1951 | |
| CC1(CC(=O)C1)C2CC2,0.2208 | |
| CC1CC=CC2OC2C1,0.254 | |
| CCC#CC(=O)NCC,0.2337 | |
| CC1(CN1)C(=NO)C#C,0.204 | |
| CC12C3OC1CC(=O)C23,0.2228 | |
| CC1(C)OCC1(C)C#N,0.286 | |
| CC1CC1C(=O)C=O,0.1563 | |
| CCN1CC1C1CC1C,0.3015 | |
| COCC1C(C)C2CN12,0.3042 | |
| C1OCC11C2CC1OC2,0.3131 | |
| CC12CN1C(=O)NC2=O,0.2355 | |
| CN=CN(C=O)C(=N)N,0.2129 | |
| CC1C(C=CC1=O)C#N,0.1903 | |
| C#CC12CCOCC1O2,0.2757 | |
| CC1OCC(N)C(=O)O1,0.259 | |
| CC12COC(CC1O)O2,0.3137 | |
| CNC(=O)COCC#C,0.2651 | |
| CC(C)CCN1CC1,0.3142 | |
| Cc1cc(oc1NC)C,0.212 | |
| N=COC12CN(C1)C2,0.2721 | |
| OC1=CC=CC(=N)N=C1,0.1441 | |
| CC#CC(CO)C(C)O,0.292 | |
| C(C#CC(=O)N)NC=O,0.2292 | |
| N#CC1OC23CN(C2)C13,0.2363 | |
| O=C1NC2C3CC(C3)C12,0.2734 | |
| OC1C2C3C4C=C1C2N34,0.18 | |
| O=C1OC2C3C=CN1C23,0.2155 | |
| CC(CO)CC1CCO1,0.3198 | |
| CCC1C2C(O)C2C1=O,0.2245 | |
| C1CC11CCOC2CC12,0.3177 | |
| OCC1=CC2C3C1CN23,0.2279 | |
| c1cncc2c1non2,0.1638 | |
| O=CC1NCCNC1=O,0.211 | |
| OC12CC1(O)CCC2,0.297 | |
| CCN(C=O)C(C)C#N,0.2719 | |
| CCCC(=O)C(C)OC,0.2292 | |
| CC1(CN1C(N)=O)C#N,0.2812 | |
| NC(=O)C1C2CC(=O)C12,0.2281 | |
| CC1(CO1)C(O)CC=O,0.2237 | |
| CC1OCC(C=O)C1O,0.2237 | |
| OC(CN1CC1)C1CC1,0.294 | |
| CC1CC(C1)C(=O)CO,0.2374 | |
| C(=O)Oc1c([nH]nn1)O,0.2278 | |
| c1(nnc2n1nno2)N,0.1616 | |
| CC(C)N1CC2(C1)CO2,0.293 | |
| O=C1C2CC1C2CC#N,0.2517 | |
| CCC12OC3CC1C2O3,0.3284 | |
| OCC(=O)C1CCOC1,0.2279 | |
| CC1OC(C=O)C=C1,0.203 | |
| CC1C2OC=NC12C#C,0.2465 | |
| CCC1C2OC1C2C=O,0.2037 | |
| O=C1CC=CC1C1CN1,0.2169 | |
| O=CN1CC2NC2C=C1,0.2041 | |
| N#CC12CC3OC3C1N2,0.2771 | |
| C#CCOCC1CO1,0.2888 | |
| CC1CC(C=C1)C(C)=O,0.214 | |
| OC1C=CC2OC12C#C,0.2271 | |
| CC1C2CC1C(C)C2C,0.3638 | |
| CC1OC(C2CC2)C1C,0.3204 | |
| N=C1OC2C3CC12CO3,0.2635 | |
| NC1=NOC(=N)C(=N)O1,0.1876 | |
| CC1(CCCC1O)C#C,0.3123 | |
| CC1C2OC3(CC3)C12,0.3036 | |
| CCC12OC(C=C1)C2C,0.2324 | |
| O=CC(=O)C12CCC1N2,0.1585 | |
| CC1C(O)CCC1=NO,0.2488 | |
| N=C1OC2C3C4NC13C24,0.2603 | |
| CCC12CN1C(C2)C=O,0.2158 | |
| N#CC1OCOC1C#N,0.2882 | |
| N=C1OC2OCC3C2C13,0.2789 | |
| COC1CC11COCO1,0.3006 | |
| COC1(CO)CCCO1,0.3181 | |
| CC(=O)CNC(=N)C=O,0.1723 | |
| C1OCC2NC12,0.3149 | |
| O=CC12C3C4OC1C4N23,0.2182 | |
| c1c2c([nH]n1)OCOC2,0.2484 | |
| OCC(CC#N)C=O,0.2249 | |
| CC1=CC2C3CC2(C1)O3,0.2384 | |
| C1C(CN1)(CC#N)C#N,0.2653 | |
| CC(C)(CNC(=O)N)O,0.2957 | |
| CC(O)C#CC(C)C#C,0.2852 | |
| C#CC12CC1C(O2)C#N,0.2374 | |
| COC1CCC(O1)=NC,0.2757 | |
| OCC12CCN3CC1C23,0.2986 | |
| N=C1COC(=O)O1,0.281 | |
| C1C2CCC3CCCC123,0.3361 | |
| c1cc(cc(c1)F)O,0.223 | |
| CC(C)C(C)(C)C(C)O,0.3283 | |
| CC1NC11C2C3OC2C13,0.3051 | |
| CC1OC2CC12CC=O,0.2074 | |
| CC1OCC(CC#N)O1,0.305 | |
| C#Cc1c[nH]cc1N,0.2031 | |
| OCC1CCC2OC12,0.3342 | |
| CN1C2CCC1C2=O,0.2375 | |
| CC1OC(=N)C11CCO1,0.2611 | |
| CC12C3CC1OC2CC3,0.3131 | |
| OC1(C=O)C2NC(=O)C12,0.194 | |
| O=CC1CCC1C#C,0.2234 | |
| CC1C2N3CC3C12C=O,0.2095 | |
| c1c2c(co1)C=CC2,0.2001 | |
| CCOC=NCCC=O,0.2234 | |
| c1c(onc1OC=O)N,0.2183 | |
| COCC(C)(O)CC#N,0.3106 | |
| CC(C)Nc1n[nH]nn1,0.2046 | |
| CC12CC3C1N3C2,0.314 | |
| OC1C2CC2C1C1CC1,0.3132 | |
| CC(C)CCOC=NC,0.2728 | |
| CCN1C2CC2C1C#N,0.2415 | |
| Cc1ccc(=O)[nH]c1C,0.1704 | |
| CC1OC2CCC2=C1,0.2362 | |
| CNC1(COC1=N)C#C,0.2477 | |
| CC1CCC(C1)C=O,0.2293 | |
| CC12CC1C1(CC1O)C2,0.3086 | |
| COC1C(CC1=O)C=O,0.2015 | |
| CCc1ccc(nc1)O,0.2065 | |
| CN=C1OC(C)C1(C)C,0.2816 | |
| c1nc2n(n1)CC2,0.2752 | |
| CC#CC1C2CN=CN12,0.2267 | |
| CCOC1(CC1O)C#N,0.2745 | |
| CC1CC(=O)NC(C)=N1,0.2366 | |
| COC1CC2C1NC2=O,0.2693 | |
| CC12C3C(C=O)C1CN23,0.2255 | |
| CC1OC2CC2C(C)O1,0.3308 | |
| NC(=O)N1CCC1=N,0.2466 | |
| C#CC12OC(C=C1)C=C2,0.2018 | |
| C(=O)c1c([nH]c(=O)[nH]1)N,0.1634 | |
| O=C1CC2NC2C11CC1,0.2265 | |
| Cc1cc(=O)ocn1,0.1981 | |
| N#CCCC1CCOC1,0.2924 | |
| CN1CCNC1=O,0.295 | |
| CNc1c(cc([nH]1)N)O,0.2243 | |
| CC1CCCC11CO1,0.3293 | |
| CCC1(CC1)C(F)(F)F,0.3821 | |
| N=C1COC(=O)OCO1,0.2728 | |
| OCC1CN1C(=O)C#C,0.2139 | |
| CC(CCC=O)C#N,0.2278 | |
| N#CCC1C2CC1OC2,0.283 | |
| N=C1NC=NC(=N)C=N1,0.1721 | |
| CN(C=O)C12CN(C1)C2,0.2701 | |
| COCC(C)C(=O)CO,0.2321 | |
| CCOCC1CCC=C1,0.264 | |
| CC(O)C12CCCC1O2,0.3202 | |
| CN(C=N)c1cocn1,0.2051 | |
| ON=C1C2C3C=CC1N23,0.2009 | |
| CC1=C(C(=O)CNC1)C,0.1682 | |
| CCCC(O)(CC)C#N,0.3111 | |
| COCC1(O)CC(C)C1,0.3262 | |
| N#CC1CC1C1CN1,0.2747 | |
| CCNCC(O)C#N,0.28 | |
| CC1(O)C2CC1C2C#C,0.2797 | |
| CN1CC(C1)NC(=O)N,0.2734 | |
| O=C1NC2C3CN(C3)C12,0.258 | |
| CC#CC1(CC1)OC=N,0.2635 | |
| c1cc(n(c1)C2CC2)N,0.2267 | |
| CC#CC1=COC(=N)O1,0.1894 | |
| NC(=O)C1CC(C1)C=O,0.2257 | |
| CC1C2CCC1OC2,0.3128 | |
| CC12CC1C1CN1C2=O,0.2361 | |
| c1cnc(c(c1F)O)O,0.2132 | |
| CCC1CC(=O)OC=N1,0.2491 | |
| OCCC1OC1CO,0.335 | |
| C1CC1(CC=O)O,0.2209 | |
| C1CC2(OC12)C1COC1,0.3246 | |
| CC1N2C3CC2C1(C)C3,0.3068 | |
| C1CN1C(=O)CC=O,0.2213 | |
| OC1(C=O)C2OCOC12,0.2039 | |
| CC1(C)OC2CC12C#C,0.264 | |
| ON=C1CC(C1)OC=O,0.2469 | |
| CC(CO)C1C(C)N1C,0.2852 | |
| C1C2C1C1COC3C2C13,0.2994 | |
| c1c(nnc(n1)F)C#N,0.1654 | |
| CCC1=CC(OC1)C#N,0.2532 | |
| CC1C2CC3N2C13C#N,0.269 | |
| C1C2C1C1OC3C2OC13,0.2983 | |
| CC12CC3C(C1)C23C#N,0.2742 | |
| CC12C3OC4C(C13)C24C,0.312 | |
| CC12COC(C#N)C1N2,0.2764 | |
| NC(=O)C(C#C)C1CO1,0.2647 | |
| COc1cocnc1=O,0.2017 | |
| OCC1CCC2OC2C1,0.3316 | |
| OC1CC(O)C2CCC12,0.3172 | |
| c1cnc-2[nH]cncc12,0.1555 | |
| c1coc(=O)n1CCO,0.2378 | |
| CC1=NON=NC1=N,0.176 | |
| c1cnc(cn1)N=CN,0.1757 | |
| CC(O)CC1=CC=CN1,0.2386 | |
| Cc1cn[nH]c1OC,0.2523 | |
| O=CNCC1C2CC1O2,0.2563 | |
| CC1CNC1(C=O)C#N,0.2072 | |
| CC12CN3C1C(C=O)C23,0.2044 | |
| CC1CN(C)CC(=O)O1,0.2468 | |
| CCC(=O)C(O)C#CC,0.2193 | |
| CC1(CC(O)C1)N1CC1,0.2998 | |
| COC1C2CC3C2OC13,0.3049 | |
| O=C1N2C3CC4C(C23)N14,0.2363 | |
| COC12CN3C1C(C)C23,0.3207 | |
| O=C1CN2CCC2C=C1,0.1557 | |
| N=COC1(CCC1)C#C,0.2776 | |
| C1C2N1C13CC21OCC3,0.2573 | |
| CC1=CNCC=CC1=O,0.1622 | |
| CN1C2CC1C2(O)C#C,0.2356 | |
| C1C2C3OC1C1OC1C23,0.3163 | |
| COCC1OCC(=N)O1,0.2926 | |
| CC(C)COCCOC,0.3356 | |
| O=C1CC2NC1C2C#N,0.2092 | |
| OC1CC2CN3C2C13,0.2904 | |
| NC1=NN2C3CC3C2=N1,0.202 | |
| c1c(nc([nH]1)N)OC=O,0.2126 | |
| CC12C3C(CCN13)C2=O,0.2201 | |
| C(C#N)N,0.2855 | |
| CC(=O)c1ccnn1C,0.2039 | |
| CNc1ncc(o1)OC,0.2268 | |
| OCC1C2CN1C2,0.3099 | |
| OC12CC1(O)C=CCC2,0.2401 | |
| OC12CC1C1(NC21)C=O,0.1876 | |
| N=CN1CC2CN2C1=O,0.2355 | |
| CC1=CCCNC1=O,0.2135 | |
| CN1C2C3NC2(CO)C13,0.2676 | |
| CC12CC1CC2CCO,0.3246 | |
| C(C#N)C(=O)C#CC#N,0.189 | |
| CC(OCC#C)C#N,0.2735 | |
| CC1(CNC(=O)N1)C#N,0.2788 | |
| C#CC12C=CC3C1CN23,0.2054 | |
| C1C(CO1)C(C=O)C=O,0.2004 | |
| CCCC(C)CO,0.3411 | |
| CC(O)C12CC1OC2,0.301 | |
| CC(=O)C1CC(C1)C=O,0.2219 | |
| C1CC11CC2OC3C2C13,0.305 | |
| OC1CC2C3CC1C23O,0.3094 | |
| C#Cc1cocc1C=O,0.1869 | |
| CCN=C1NC2COC12,0.2411 | |
| CCCC1C(C)CC1O,0.3155 | |
| CCN1CC1CCCO,0.2989 | |
| CCc1cnc(nn1)F,0.1659 | |
| c1cc(=O)c(=O)onc1,0.1584 | |
| OCCC(CO)C1CC1,0.3334 | |
| COC1C2CC3CC2C13,0.3339 | |
| CCNc1[nH]c(=O)on1,0.2599 | |
| CCN1C2CC1(C)C2O,0.27 | |
| COC1(C)OCCC1O,0.3352 | |
| CCCNC(=O)CC#N,0.2781 | |
| COc1conc1C=O,0.1805 | |
| CC1(CO)C2CC1C2=O,0.252 | |
| CC1CC(=O)O1,0.2861 | |
| CC12CN3C(C13)C(=O)C2,0.2142 | |
| O=C1OCC11COC=N1,0.2497 | |
| CC(=NC)NC(=O)C,0.232 | |
| CC1OCC1C(C)(C)O,0.3211 | |
| CCc1cnoc1N,0.2244 | |
| c1c([nH]c(=O)c(=O)o1)N,0.1675 | |
| N=C1NC2CC2NC1=O,0.197 | |
| CCc1[nH]cc(n1)C#N,0.2276 | |
| CC(CC#CC#N)C#C,0.2338 | |
| C(COC=NCC=O)O,0.2215 | |
| COC1C2NC1C2O,0.3043 | |
| CC1C=CC2C3OC1C23,0.2376 | |
| OC(C#N)C1=CN=NN1,0.244 | |
| OC1C=CCC2CCC12,0.2588 | |
| Cc1cnc(o1)CO,0.2377 | |
| N#CC12CC3C4C(C13)N24,0.2614 | |
| c1coc(c1C#N)C#N,0.189 | |
| C1CC(=O)C=CC=C1,0.1693 | |
| C1C2CN1C1=NON=C21,0.2388 | |
| COC(C)C1OCC1C,0.3118 | |
| O=CCC1C2C=CC1C2,0.216 | |
| Cc1cc2n(n1)C=CC2,0.1989 | |
| C#CCC(=NO)C1CC1,0.2429 | |
| O=C1CCC(CO1)C#C,0.2704 | |
| CC12C3C1C1C3N2C1=O,0.2271 | |
| CC12C=CCC1C2O,0.2327 | |
| CN1CC1C1=CC=NO1,0.2128 | |
| CC(O)C1(C)CN2CC12,0.2919 | |
| C#CCC(=O)NCC=O,0.2202 | |
| CCC(C)OC(=O)C#C,0.2374 | |
| CCc1c(oc(n1)O)C,0.2386 | |
| CC(O)CC1CCC1,0.3278 | |
| OC12CC(O)(C1)C1OC21,0.3202 | |
| C#CC(=O)OC1CCC1,0.2368 | |
| C#CCNC1(CC1)C=O,0.2102 | |
| C(C(CO)(C=O)C=O)O,0.2048 | |
| CC(O)C1C(O)C1O,0.2829 | |
| C1C2C3OCC=C3CN12,0.2397 | |
| COCC1CCC11CO1,0.3316 | |
| NC1=NC2CC(O1)C=C2,0.2193 | |
| Cn1c(cnn1)C#N,0.2234 | |
| CC1(COC(=N)N1)C#C,0.2614 | |
| CCc1cc(c(o1)N)C,0.2283 | |
| C#CC12C3CC1CN2C3,0.2351 | |
| CC12C3CC1C3C2C=O,0.2181 | |
| CCC(=N)N(C)C(=O)C,0.241 | |
| COC(=O)N1CC1C#N,0.2797 | |
| OCCCC(C#C)C#N,0.2872 | |
| N=C1NCCOC1=O,0.1981 | |
| CC1C=C(C)C2C(O)C12,0.2324 | |
| OCC(O)C1=CN=CO1,0.2375 | |
| CC1CC1C1=COC=C1,0.2391 | |
| CCC(OC(C)C)C#C,0.298 | |
| CC12CC1OC1COC21,0.3023 | |
| Cc1coc(=O)c(=O)[nH]1,0.1764 | |
| CNc1nc(on1)C#N,0.1724 | |
| N#CC1=C2CCC2CC1,0.2073 | |
| CC(O)CC1=CN=CO1,0.2416 | |
| CC1(CO)CC(C1)=NO,0.249 | |
| CC1=NNC(=N)C(O)=N1,0.1677 | |
| OC1CC2(OC12)C1CC1,0.3207 | |
| NC(=O)OC(=N)CCO,0.2616 | |
| CC1C(C)C1(N)C#N,0.2975 | |
| CN1C2C3C4OC2C1C34,0.3127 | |
| OCC#CC1OCC1=O,0.2119 | |
| CCC1NC(=O)C(C)=C1,0.2217 | |
| OC1C2C3C1C(O)C23O,0.3099 | |
| NC1C2NC=NC12C#N,0.2291 | |
| CC(=O)N1CC(O)C1=O,0.2166 | |
| CC1C(NC1=O)C=O,0.2144 | |
| CN1C(COC1=N)C#N,0.2504 | |
| c1c(=O)c(c([nH]n1)N)N,0.1696 | |
| CCc1ccoc1C#N,0.2049 | |
| FC1=NOC(=N)NC1=N,0.1884 | |
| CCn1c(cc(n1)O)C,0.2375 | |
| OCC1(NC1C#N)C#N,0.2624 | |
| NC(=[NH2+])OCCC([O-])=O,0.285 | |
| N=C1C=NNN=N1,0.1763 | |
| CC1CCC=CC1O,0.2625 | |
| C1C2CC11CCCOC21,0.3337 | |
| c1cnn(c1)C(=O)C#N,0.1897 | |
| C1OC11CN2CCC12,0.2826 | |
| c1c(ocn1)C(F)(F)F,0.2455 | |
| OC1CC2NC12,0.3133 | |
| OC1C2CC3(CC3)OC12,0.304 | |
| CCC1=CC2OC2CC1,0.2355 | |
| COC1CCOC1=N,0.2691 | |
| CC#CC12OCC1C2C,0.2433 | |
| OCC12NC1CC2C#N,0.2836 | |
| CC(O)CN1C=CC=C1,0.2433 | |
| Cc1c(c([nH]n1)OC)N,0.2501 | |
| C1C2C1C1OC2C2OC12,0.3321 | |
| Cc1coccc1=NC,0.1883 | |
| CC(O)C1(CN1C)C#N,0.272 | |
| CN=C1OC=NC(O)=C1,0.1704 | |
| OC12CC3C(NC13)C2=O,0.2037 | |
| OC1(CNC1=O)C=O,0.2016 | |
| COC(CN)(CO)C#N,0.2595 | |
| CC1(C)CC2C3OC2C13,0.2939 | |
| C#CC1=CC2(CN2)CC1,0.1929 | |
| CC(CO)C#N,0.3246 | |
| CC1CC1(C#N)N1CC1,0.2798 | |
| C1C2=CC3C=C1C1C2N31,0.0835 | |
| CC1(OC(=O)C=C1)C#C,0.2216 | |
| CC1C2CC2(O)C=C1C,0.2366 | |
| OC1=COC(=N)C(O)=N1,0.148 | |
| OC1C2C3NC1C23C#N,0.2519 | |
| CN(C)Cc1conn1,0.1919 | |
| CCC1(NCC1=O)C#N,0.2136 | |
| O=C1CC(CC2CC2)O1,0.2856 | |
| C1CC12CCOCC2,0.3255 | |
| OCC(=O)C1CN2CC12,0.2094 | |
| Cc1cc(oc1N)NC,0.216 | |
| CNC(=O)OCC1CN1,0.2937 | |
| C1CC1CC(=O)N,0.2738 | |
| CC1(O)C2C3C2C(=O)C13,0.2414 | |
| CC(C=O)C1CNC1=O,0.223 | |
| OC1CN2C3CC1C23,0.2974 | |
| C#CC1NC1C1COC1,0.2756 | |
| CC1C2C3COC2C13O,0.2995 | |
| CCC12NC1CC2(C)O,0.2956 | |
| C1C2OC34CC3(CC4)C12,0.2927 | |
| CC1(O)CCC1(O)C#C,0.2764 | |
| NC(=O)C12CC3C(C1)N23,0.2681 | |
| CCC1(CCCN1)C#N,0.2823 | |
| C1C(=CC(=O)CO1)C#N,0.1566 | |
| c1cn(c(c1N)N)C=O,0.172 | |
| CCC1=CC(C)OC1=O,0.2287 | |
| CNc1c(c[nH]n1)C#C,0.2001 | |
| C1C2OC2C2OC12,0.3201 | |
| CC1(O)CC2(CN2)C1,0.3087 | |
| OCC(=O)C1OC1C=O,0.1967 | |
| OC1CCCCC11CC1,0.3252 | |
| N=C1NC(=O)C2CNC12,0.2315 | |
| C#CC1OCC11CCC1,0.2703 | |
| Cn1ncc(n1)OC,0.2287 | |
| CCC1(C#C)C(C)C1C,0.2889 | |
| O=C(CC1CN1)C1CN1,0.216 | |
| CC(=O)CC(O)C1CN1,0.2057 | |
| O=C1C2NC2CC1C#C,0.2054 | |
| CCC1(C)OC1C(C)=O,0.2204 | |
| CC(C)(C1(CCC1)O)O,0.3156 | |
| CC1(CC2CN2C1)C#N,0.2797 | |
| COC(=O)N1CC1,0.2898 | |
| OCC1CC2NC(=O)C12,0.2695 | |
| COC12CC(C)(C1)C2O,0.3327 | |
| CN1C2CC(C=C2)C1=O,0.2186 | |
| COC1(C)CCC1O,0.3217 | |
| CC1C2NC2C11CO1,0.3043 | |
| N=C1ON=C2C3CC3N12,0.2133 | |
| NC(C#C)C1(CC1)C#N,0.2769 | |
| CC(=O)C(=NC1CC1)N,0.1753 | |
| N=C1CCCC(O1)C#N,0.278 | |
| OC12CC1(OC2=N)C#C,0.2269 | |
| C#CC(=O)C#CCCO,0.1887 | |
| CC1NC11C2CCC1O2,0.3136 | |
| N#CC12CN(C1)CCO2,0.2526 | |
| COC12C3C1C1OC3C21,0.3131 | |
| CC1CN1CC(N)=O,0.2719 | |
| CNc1c(cco1)OC,0.2103 | |
| O=CC1(OCC=C1)C#C,0.2058 | |
| CC(C)C1COC=NC1,0.272 | |
| Cn1ncc(=NO)cn1,0.1581 | |
| NC(C#C)C1=NC=NN1,0.2569 | |
| OCC1OCOC1C#N,0.2724 | |
| CC(=O)C1CC1(O)C=O,0.2021 | |
| c1cc-2cconc2c1,0.1311 | |
| OC1=COC(=N)C=C1,0.1547 | |
| C#CCC1(CC1)CC=O,0.2234 | |
| CCC(CC)CC1CC1,0.3595 | |
| CNc1cnc([nH]1)C#N,0.1839 | |
| Cc1[nH]c(c(n1)O)C=O,0.1737 | |
| N=COC1OCCC1=O,0.2157 | |
| OC1CC1N1C=NC=N1,0.2663 | |
| CCC1C2OCC12O,0.2874 | |
| CC1CC1CC1(C)CO1,0.3428 | |
| C1CC23CC(C=C2)C13,0.2288 | |
| NC(C#C)C#CC#N,0.2225 | |
| CC1C2NC(C2O)C1=O,0.2084 | |
| CNc1ccc(n1C)N,0.2283 | |
| C1CN=COCCOC1,0.2542 | |
| N#CC12CC1NC=N2,0.2476 | |
| O=C1NC2C3C4CC13C24,0.2485 | |
| [NH2+]=CNC1=COC(=O)[N-]1,0.0984 | |
| OC12COC11CN(C1)C2,0.3116 | |
| COC1CC=CC1(C)C,0.2636 | |
| CCC1C(C)N1CC#N,0.2682 | |
| CC1C(O)C(O)CC1=O,0.2132 | |
| CC12COC1CC(=N)O2,0.2847 | |
| O1C=NC2C3C=CC2C13,0.2265 | |
| C#CC12CN=C3OC1C23,0.1608 | |
| FC1=CC(=N)N=CN1,0.1929 | |
| CC12NC3C1(O)CC23O,0.2856 | |
| CC1(O)C2CC1C2CO,0.3216 | |
| OCC1(CC#N)CO1,0.3012 | |
| C#CC1C2CC3CN1C23,0.2372 | |
| OCC1CC2OCC12O,0.3021 | |
| CC1CC1(CC#N)C=O,0.2258 | |
| NC(=O)C1CN1,0.2697 | |
| CCN1CC2OCCC12,0.3004 | |
| OC1C=CC2(NC12)C#N,0.2297 | |
| OC1CC(O)C2(O)CC12,0.3167 | |
| C#CC1=NC2C3CN1C23,0.1875 | |
| C1C(=NO)C=CC(=O)O1,0.1762 | |
| OCC1CCC11CC1,0.3365 | |
| C1CC12CN=C(O2)C=O,0.1738 | |
| CCC1CC(O)C1=O,0.2202 | |
| CCC(C#C)(C#C)C#N,0.291 | |
| OCC1C2OC(=O)C12O,0.2448 | |
| COC1(CC1)C#N,0.2923 | |
| CCCOCC,0.3409 | |
| Cc1coc(c1O)NC,0.2142 | |
| Cc1c(cncn1)O,0.2103 | |
| CNc1c(cn[nH]1)O,0.2265 | |
| CC1C2COC(C)C1O2,0.3073 | |
| OC1CC(CC1O)C#N,0.3069 | |
| c1c(onn1)NC=O,0.2064 | |
| CCCC1C2OC2C1=O,0.2116 | |
| N=C1OC(=O)C(=O)C=C1,0.1521 | |
| CC1NC1CC(=O)C#N,0.1777 | |
| CC1=CC2(CC2O)OC1,0.2286 | |
| CN1CC(C1)(C#C)O,0.2459 | |
| CC1C2OCC2C1(C)O,0.3104 | |
| CC(C)(OC=N)CC=O,0.2237 | |
| C#CC12CC1(CC2)C#N,0.2426 | |
| CC1=CCC(=O)N2CC12,0.2364 | |
| CC12CC=CC1(CO)N2,0.2356 | |
| c1(c([nH]c(n1)O)O)N,0.2267 | |
| CC1=Cn2ccnc2C1,0.1986 | |
| C1NC11CC2CC2C=C1,0.229 | |
| CCN1CC(=O)C1C#C,0.2084 | |
| CC1=NC2(C)CC2CO1,0.2511 | |
| COC(=O)C(N)C#N,0.2587 | |
| CCOC12CC(C)(C1)C2,0.3369 | |
| CC1(C)NC(=O)NC1=N,0.2596 | |
| O=CC(CC#N)C#C,0.2183 | |
| CC1C23CCC12CCC3,0.3024 | |
| c1cn2c(coc2n1)N,0.2261 | |
| CCC1(CO1)C#N,0.3021 | |
| CC1N2C3C2C1(C)C3O,0.2951 | |
| N=COC1C2COC12,0.2734 | |
| C1C2OC11CCN3C2C13,0.2274 | |
| CN1CC(=N)OCC1=O,0.2589 | |
| CCCC1COC1C#N,0.2782 | |
| OC12CN3C1CC23C#N,0.2681 | |
| c1c[nH]c2c1[nH]cn2,0.2088 | |
| N#CC1CC2OC=NC12,0.2625 | |
| CNC1COC1=N,0.2554 | |
| OC12CCC(CC1)OC2,0.305 | |
| CN(C)c1nc(co1)N,0.2187 | |
| COCc1ncnnn1,0.1604 | |
| CC1OC11CN(C)C1,0.2975 | |
| CCCC1C2C3CC1C23,0.3284 | |
| CC1CN=COC(=O)C1,0.2376 | |
| O=CC1OC2(CC12)C#N,0.2154 | |
| CC1CCC=C(C1)C#N,0.2249 | |
| CC12CC(N)(C#N)C1O2,0.2905 | |
| Cc1nc(n(n1)C)CO,0.2476 | |
| COC1CCCC1C#N,0.2956 | |
| C1CC1n2nc(nn2)O,0.2255 | |
| CC1CC1(C)NC(C)=O,0.2708 | |
| N#CC12CNC3CN1C23,0.265 | |
| O=C1NC=C(O1)C1CO1,0.2229 | |
| CC(C)(CO)C(=O)C#N,0.2009 | |
| CCN=C1OC2C(C)C12,0.2681 | |
| C1C2OCC3C4CC23C14,0.2443 | |
| C1CN2C3C4OC3C24C1,0.2838 | |
| NC=[NH+]C1=COC(=N)[N-]1,0.0812 | |
| COC1=NC=CNC1=N,0.1686 | |
| NC1=NC2CC(=O)C2O1,0.1956 | |
| CC(C)C1CC2CC1C2,0.3744 | |
| CC1=C(CC2CC12)C#C,0.1983 | |
| CCN=c1cnocn1,0.1942 | |
| CC1C(O)C2(C)CC12C,0.3068 | |
| OC12CC1NC2=O,0.2435 | |
| CC(C)CNC(=O)C=O,0.175 | |
| CC#Cc1c(nno1)C,0.1918 | |
| CN1C(C#C)C11CCC1,0.2552 | |
| COC(C)C1(C)CCC1,0.3289 | |
| N#CC12CC3C(C1)C23,0.2893 | |
| CC1N2C3CC2C1(O)C3,0.2935 | |
| Cc1cc(cnc1O)O,0.1894 | |
| O=C1C=CCCC11CO1,0.1852 | |
| O=C1CC2N1CCC2=O,0.2042 | |
| CN=C1OC2(C)CC12N,0.2605 | |
| CC#Cc1c(nco1)O,0.186 | |
| CC1(C)C2CC1(O)C2O,0.316 | |
| CC12NC1C(=O)C2CO,0.212 | |
| CC(O)CC1(CO1)C#N,0.2876 | |
| CC12CN3CC1(CO)C23,0.2857 | |
| C1OC11C2CC1OCO2,0.3184 | |
| CC1=CC(N)=NC(=[NH2+])[N-]1,0.2084 | |
| CC(=O)C(CO)OC=N,0.223 | |
| CC12NC1C1CC21O,0.2772 | |
| c1cn[nH]c1CN2CC2,0.2582 | |
| CCC1CC2OC=NC12,0.2613 | |
| N=C1NC=C(C#N)C1=O,0.1484 | |
| OC12C3CC11CCC2N31,0.3164 | |
| N=C1CC(C=O)N1C=O,0.2077 | |
| CC(=O)C(=O)C(=O)C#N,0.1319 | |
| CC1(C=CCC1O)C#C,0.2526 | |
| CCC1(CC(O)C1)OC,0.3188 | |
| OCC1CC2=CC=CN12,0.2503 | |
| CC12CCC(=O)C1(C)O2,0.2115 | |
| C1CC2C3COCC2C13,0.331 | |
| CCCOC1CC1OC,0.3178 | |
| CC(C)C12C3CC1CC23,0.3166 | |
| CC#CCC1CC2CC12,0.3004 | |
| N=C1CNCCC(=O)O1,0.2205 | |
| CC1(O)CN2CC2C=C1,0.2258 | |
| CC(=N)Nc1cnno1,0.2042 | |
| CC12C3CC11CCN2C31,0.2989 | |
| CC1OCC2CC2(C)O1,0.3283 | |
| N#CC1=CC2CN2C1,0.1915 | |
| CCNC(=O)OC,0.3125 | |
| OCCCC1CN=CO1,0.2718 | |
| NC1CCOC1C#N,0.2669 | |
| OCC1CC2OC2C=C1,0.2469 | |
| CC1OCC1(CO)CO,0.2944 | |
| OCC1C(O)C2CCC12,0.2978 | |
| COC1(CC1C)C#N,0.2911 | |
| OC1C(O)C1(O)CC#C,0.2901 | |
| CNC(=O)CC(=O)CO,0.209 | |
| O=CNCC1CN=CO1,0.2667 | |
| CC1CC2(O)CC2C1=O,0.2213 | |
| CN1C2COC2C1=O,0.2496 | |
| C#CC1CCNC1C#N,0.2665 | |
| COC1CCC1C(C)=O,0.2319 | |
| CC1CN2C3CC1(C)C23,0.3095 | |
| C(C(CO)(C#N)C#N)O,0.2969 | |
| CN1C(C=O)C1C#N,0.1961 | |
| CC12CC(COC1=N)N2,0.261 | |
| CCCC1OC(=N)C1O,0.2828 | |
| O=CNC1CNC(=O)C1,0.2673 | |
| CC(CO)C(=N)NC=O,0.2295 | |
| CCC1NC1CC=O,0.2208 | |
| C1NC1C12CCCC1N2,0.3079 | |
| ON=C1C2NC1C1OC21,0.2542 | |
| CCC(=O)CC1CN1C,0.2086 | |
| CCCCC1CC1CO,0.3358 | |
| C(C#CC1CO1)C1CC1,0.2753 | |
| CC1CC23CN1C2CO3,0.2589 | |
| CCC1C(CC=O)N1C,0.1985 | |
| CC#CC1(C)CCCO1,0.2942 | |
| O=C1CC23CCC2OC13,0.1943 | |
| CCC(C)C(C=O)C#C,0.219 | |
| CC1CC1(O)CC(C)=O,0.2158 | |
| Cn1ccc(n1)N(C)C,0.2151 | |
| CC1=C(C)C2(O)CC2C1,0.2419 | |
| c1c(cn[nH]1)CC#N,0.2626 | |
| O=CCC12CC1N1CC21,0.2021 | |
| COC(=O)c1ncco1,0.2071 | |
| C#Cc1c[nH]nc1N,0.2081 | |
| CC12CCC(O)(C1)C=C2,0.2577 | |
| C1OC11CCC2NC12,0.3112 | |
| Cc1nc(on1)OC,0.2606 | |
| CC1CCCCC1,0.374 | |
| CCOC=NC1CC1,0.2512 | |
| CCOC(CO)CC#C,0.3034 | |
| CC(C)C1CC(C1)(C)C,0.3561 | |
| CC1(CCO)CCO1,0.318 | |
| N=CN1CC2NC2C1=O,0.2175 | |
| OCC12CCN3C1CC23,0.2948 | |
| c1c(noc1OC=O)O,0.2264 | |
| CCC12OC1C(C)C2C,0.322 | |
| CC(O)C(O)C1(O)CC1,0.3035 | |
| CC#CC#CC1OC1C,0.2117 | |
| CCC12CN1CC2O,0.2919 | |
| CC1=CC2CC(CC1)O2,0.2379 | |
| CCC(O)(CC=O)C=O,0.2147 | |
| C1CC1CNCC#N,0.2677 | |
| CC1(C)C2NC(=N)C12O,0.2437 | |
| CCC1C2C3C=CC2C13,0.2259 | |
| CCC(=O)N(C)CC,0.2687 | |
| O=COCC1CC2NC12,0.256 | |
| CCOC(C)(C)C=O,0.226 | |
| O=COC12CCC1CC2,0.2734 | |
| C1NC1C12OC1CC=C2,0.2458 | |
| CC12OC1C=CC21CC1,0.2359 | |
| CCC(C#CC)C(N)=O,0.2694 | |
| CC1N(C)C1(C)C(N)=O,0.2559 | |
| O=CC12COC1CCO2,0.2156 | |
| CC1(CC1)c2[nH]ccn2,0.2435 | |
| CC1=CC(=N)NN=C1O,0.1535 | |
| C#CC12NC1CC1OC21,0.2583 | |
| C1CC(C1)C2CCC2,0.3589 | |
| CC(CC#N)C#N,0.3346 | |
| N1C2C1C1NC3C2NC13,0.2793 | |
| CCC1CC=CC1OC,0.2586 | |
| O=CCN1CC2CC12,0.199 | |
| COC1OC(C)(C)C=C1,0.2622 | |
| CN=C1CCC=CCO1,0.2394 | |
| OC12C3CC1N3C21CC1,0.3094 | |
| CN=C1CCC2(O1)CC2,0.2671 | |
| CC(OCC1CO1)C#C,0.2948 | |
| COc1cc[nH]c1N,0.2312 | |
| OCC1(CO1)C(=O)C#C,0.1956 | |
| CN1CC2(C1)CO2,0.2969 | |
| N#CC1COCC2CC12,0.301 | |
| Cc1cn(cc1N)C,0.2264 | |
| CC1=C(COC1=N)C#C,0.1848 | |
| CC1CCC2OC12C#N,0.2891 | |
| O=C1CC23COC12CO3,0.1982 | |
| NC1=[NH+]C(CC1)C([O-])=O,0.2489 | |
| OC1C2CNC2C1C#N,0.2748 | |
| CC(C#C)C(C=O)C=O,0.1993 | |
| OCC1CC=CCC=C1,0.2531 | |
| COC1COC2C(O)C12,0.2904 | |
| CC12CC1OC(O2)C#N,0.2837 | |
| CC1C2OC3C2OC13C,0.3072 | |
| C1C2(N1CC=O)COC2,0.2203 | |
| CCOCc1cnno1,0.2326 | |
| CC1COC1(CO)C=O,0.2095 | |
| CC(C)(C#C)C1CO1,0.3098 | |
| C(=O)C(=O)C(=O)NC=O,0.121 | |
| CC1CCC2(O)CC12O,0.2929 | |
| C1C2C=CC1C1OC21,0.2374 | |
| c1c(nn[nH]1)OCCO,0.2255 | |
| CC1=CCCC=CC1=O,0.1807 | |
| CCC(C)(O)CC(C)O,0.2999 | |
| NC1=C(O)C(=N)N=NN1,0.1536 | |
| O=C1C2CC3CC1C2O3,0.2162 | |
| CC1OCCC(C)=C1,0.26 | |
| CC1C2CC(C)C(=O)C12,0.2215 | |
| CC1(O)C2NC1C21CO1,0.3073 | |
| CCC(OC(C)=N)C#C,0.2882 | |
| CC(O)C1(C)CCO1,0.3028 | |
| CC1CC(=O)C11CC1O,0.2167 | |
| N=CN1CC1(C#N)C#N,0.244 | |
| CCOC1COC11CC1,0.3006 | |
| CC(C)C1OC2CC1C2,0.3239 | |
| CC(O)C1=NN(C)N=N1,0.243 | |
| CC1(O)CCOC1C=O,0.2158 | |
| C1CCC(C1)C(=O)C=O,0.1559 | |
| C1CC2NC2COCO1,0.3047 | |
| CC(C)C1COC1C#N,0.2784 | |
| c1c2n(cn1)C(=O)NC2,0.2211 | |
| NC12CC1(O)COC2=O,0.2466 | |
| OCC12CCC=C1CO2,0.2361 | |
| C1N2CC11CC3NC3C21,0.286 | |
| COC1CC2OC(=N)C12,0.2811 | |
| CC12C3N1C1=NC2C3=C1,0.1257 | |
| CC(C#N)C1CC(=O)O1,0.2872 | |
| O=C1COCC2(CO2)C1,0.218 | |
| OC1=C2CCN2C(=O)N1,0.223 | |
| CC12OCC1OCC2O,0.294 | |
| c1c(cn(c1O)C=O)N,0.1689 | |
| CC12CC(CC1)C2=O,0.2285 | |
| C1C2NCCN=COC12,0.2561 | |
| CC12OCOC1(C)C2O,0.2955 | |
| CC(O)C1(C)OC1C=O,0.2174 | |
| CC1(O)C2CC3(CC3)C12,0.3146 | |
| C1C2C3CC4OC4C2C13,0.3419 | |
| CC(C#N)C1CCOC1,0.2948 | |
| CC12CC(CC1C=O)O2,0.2197 | |
| OC1C2C3NC3CC12O,0.2798 | |
| c1nc2c(o1)nno2,0.1919 | |
| C#CCC#CCCC=O,0.2213 | |
| OC1C2C(C#N)C2C1=O,0.2093 | |
| N=C1OC2CC1COC2,0.2855 | |
| OC1(CC2CC12)C1CO1,0.3211 | |
| CC1C(=O)NCC1=NO,0.238 | |
| OC1=NC(=N)C=CC=N1,0.1502 | |
| C1CN1CC#CC=O,0.1928 | |
| OC1CCC2OC(=N)C12,0.2867 | |
| CCC(C)(CC)C(=O)N,0.2727 | |
| NC(C#N)C1(CC1)C#N,0.2802 | |
| O=C1CC2OCC2=C1,0.1907 | |
| CC1OCC(O1)C1CO1,0.3384 | |
| CNC1(C[NH2+]C1)C([O-])=O,0.2484 | |
| CN1CC1C1=CN=CO1,0.229 | |
| CCCC(CC)NC=O,0.2825 | |
| COCC(=O)NCCO,0.2642 | |
| CC12CC(C)(C1)CCC2,0.3472 | |
| CC1OC2C1C2C(C)=O,0.2187 | |
| CC1C2CC(C)CC12O,0.3206 | |
| CC(CO)C1CCC1C,0.3377 | |
| CC1C=CC2C(O)CN12,0.2338 | |
| Cn1c(c(c(n1)N)N)O,0.2477 | |
| OC1CC1(O)C1COC1,0.2993 | |
| CNC12C(C)C1OC2=N,0.2482 | |
| CCC1(CC1)OC(C)=N,0.2866 | |
| CNc1ccc([nH]1)OC,0.2311 | |
| c1c(non1)C2COC2,0.2211 | |
| CCC1(CN1)C#N,0.2955 | |
| OC1C2C3OC(=O)C2C13,0.2704 | |
| O=C1C2CC3C4C3C1C24,0.2129 | |
| C1CC11C2CC3CC1N23,0.2867 | |
| CCOC1CCOC1,0.3267 | |
| CC1C(O)C2(CN12)C=O,0.213 | |
| C#CCC(C=O)C=O,0.2061 | |
| CC12CC3(O)C1NC23,0.2945 | |
| CC1(OC(=O)C1N)C#N,0.2489 | |
| OC12CN3C4C(C14)C23,0.2841 | |
| OCC1OC2CN3C2C13,0.3088 | |
| C1C2CC3=CC1N1C2C31,0.1708 | |
| CC1=CC2CC1C1OC21,0.2367 | |
| CCC1(CC)OC2CC12,0.3139 | |
| C#CC1OC2CNC12,0.2506 | |
| CC12CN3C4C(O1)C4C23,0.2734 | |
| CNc1c([nH]cn1)C#N,0.1846 | |
| CCc1cccnc1N,0.2004 | |
| CC1C(CC1(C)O)C#N,0.3065 | |
| CC(CC1CO1)OC=N,0.2804 | |
| c1c(c2cn[nH]c2[nH]1)O,0.2121 | |
| CC12C3CC(N13)C2=O,0.2337 | |