SELFIES
stringlengths 4
5.02k
| input_ids
sequencelengths 3
510
| token_type_ids
sequencelengths 3
510
| special_tokens_mask
sequencelengths 3
510
| attention_mask
sequencelengths 3
510
| length
int64 3
510
|
---|---|---|---|---|---|
[C][S][C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][NH1][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring2] | [
4,
1444,
2702,
3583,
2905,
2588,
1466,
2339,
1447,
1462,
2310,
2497,
2699,
1444,
1446,
1462,
2575,
1451,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][Ring2][Ring1][#C][C][C][C][Branch1][=Branch1][C][C][Ring2][Ring2][#Branch1][O][C][C][O][Ring1][#Branch1] | [
4,
2298,
3402,
3511,
3007,
2996,
2326,
2361,
2684,
1446,
2646,
2418,
2337,
2414,
2298,
3135,
2331,
2839,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][O] | [
4,
3692,
2335,
1448,
1459,
1464,
1447,
3054,
2472,
2592,
2851,
3428,
2775,
3342,
3270,
2380,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][=C][C][=C][Branch2][Ring1][#C][/N][=C][Branch1][S][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | [
4,
2358,
2307,
1462,
1481,
1445,
1447,
1457,
1469,
2302,
3740,
3740,
2299,
1451,
2353,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][Branch2][Ring1][P][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring1][P][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C] | [
4,
2389,
1469,
3391,
1469,
1445,
2299,
2307,
1463,
2446,
1469,
1445,
1469,
1445,
2299,
1447,
1448,
2545,
2298,
2406,
2315,
1463,
1444,
2406,
2744,
1445,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 27 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][NH1][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][C][C][C][C][Ring1][Branch1] | [
4,
3692,
2335,
1448,
1459,
1464,
2567,
3575,
2706,
2385,
2664,
2369,
3588,
3625,
2399,
2571,
2340,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | [
4,
2532,
2298,
2449,
2985,
1450,
2453,
2551,
2374,
2430,
2965,
1465,
2368,
2363,
1460,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][=N][Ring1][#Branch1][=N][Ring2][Ring1][#C] | [
4,
2842,
2365,
2425,
2539,
2405,
2996,
2675,
2457,
3149,
1446,
2441,
2418,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C@@H1][Branch1][C][N][C@H1][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][=Branch1] | [
4,
2737,
2474,
1465,
2739,
2307,
2446,
2310,
1447,
1449,
2519,
2408,
2454,
2315,
2329,
1451,
2332,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][S][C][Branch1][C][C][=C][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N][C][=Ring2][Ring2][Branch1][Br] | [
4,
2298,
2361,
2449,
3331,
3681,
2347,
2454,
2314,
3532,
3366,
2484,
2871,
1447,
1467,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][C][C][C][C][Ring1][Branch1] | [
4,
3692,
2335,
1448,
1459,
2424,
1449,
3632,
3364,
3706,
3665,
3127,
2399,
2571,
2340,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring2][Ring1][#Branch2] | [
4,
2574,
2343,
2307,
2360,
2834,
2356,
2304,
2401,
2401,
2704,
1474,
2368,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][C][C][N][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | [
4,
2447,
3685,
2384,
2319,
2331,
2451,
3180,
2331,
2417,
1444,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][S][C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][S][Ring1][=N][=N][Ring2][Ring1][P][C][C][O][C][C][Ring2][Ring2][=Branch2] | [
4,
2583,
3595,
3108,
2460,
3740,
2432,
2749,
2617,
1457,
2748,
2463,
2809,
3051,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[O][=C][Branch1][C][O][C][=C][Branch1][C][I][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=N][Ring2][Ring1][=N][=C][Branch1][C][I][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][#Branch2][I] | [
4,
3692,
2535,
2299,
2308,
1475,
1444,
2473,
2440,
3939,
3463,
4049,
2435,
1445,
2308,
1475,
2595,
1460,
1475,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=C][Branch1][C][Br][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][=N][Ring2][Ring1][S] | [
4,
2913,
2794,
4047,
2377,
2366,
2719,
2834,
2353,
2496,
2448,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][=C][Branch1][C][Cl][C][N][C][=N][C][Branch1][=Branch2][N][C][C][C][Branch1][C][C][O][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][Branch2] | [
4,
2299,
2525,
2623,
2814,
1453,
2430,
2774,
2326,
2400,
2427,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch1][P][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][Branch2] | [
4,
2381,
2356,
3489,
2390,
2303,
2361,
2449,
2541,
1455,
2416,
2536,
2658,
1447,
1457,
2381,
2325,
3242,
2363,
1462,
2889,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 22 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][N][C][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][O][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Branch2] | [
4,
3692,
2335,
1448,
1459,
2497,
2333,
2454,
3626,
3247,
1453,
3542,
1461,
2427,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][Branch2][Branch1][=N][C][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][Ring1][O][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][P][=N][C][=C][Ring2][Ring2][#Branch2][C][C][C][C][Ring1][=Branch1] | [
4,
1444,
2342,
2979,
2303,
2885,
2337,
2383,
2749,
2887,
2943,
2490,
2542,
2431,
2381,
2494,
2463,
1449,
3062,
2423,
2332,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 22 |
[C][C][C][N][C][Branch1][=Branch1][S][C][C][O][C][=N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][C] | [
4,
2337,
2303,
2414,
2690,
2318,
3150,
2350,
1457,
3713,
2467,
3170,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][N][C][C][N][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] | [
4,
1444,
3405,
2562,
2523,
2298,
2440,
2760,
3847,
2759,
2309,
3135,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][Ring2][Ring1][O][=C][Ring2][Ring2][Ring1] | [
4,
3692,
2335,
1448,
1459,
2310,
2525,
2566,
2453,
2587,
2646,
2695,
3793,
2847,
1446,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][=N][C][Ring1][P] | [
4,
3692,
2720,
3180,
2309,
2307,
1450,
2342,
1447,
2300,
2488,
2640,
1448,
1449,
1446,
2300,
3081,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][S][N][C][C][O][C][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][Ring2][Ring1][N] | [
4,
1444,
2455,
2310,
2840,
2364,
3889,
2395,
2366,
2326,
2393,
2504,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=O] | [
4,
2447,
2406,
2317,
2466,
2413,
2318,
1450,
3692,
2401,
2298,
3069,
1454,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][C][Branch1][C][N][C][C][=C][C][=C][C][Branch1][P][C][=C][N][Ring1][Branch1][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][=C][Ring1][S] | [
4,
2337,
2308,
3735,
1463,
2703,
2552,
2329,
2493,
2577,
3483,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][O][C][C][C][O][C][=C][C][=C][Branch1][N][C][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Branch1][C][C][=C][C][Ring2][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | [
4,
2389,
2700,
1448,
2307,
2360,
3611,
2358,
1447,
2428,
1444,
2640,
2315,
2360,
2719,
2437,
1445,
2497,
2333,
2454,
1461,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 22 |
[C][=C][Branch1][Ring2][C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | [
4,
2299,
2861,
2309,
3101,
1456,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] | 7 |
[C][C][O][C][Branch2][Ring1][C][C][Branch1][Ring1][N][N][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][C][O][C][C][Ring1][P] | [
4,
2298,
2318,
2307,
2298,
2335,
1448,
2366,
2953,
2413,
2809,
3081,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][Branch2][Branch1][O][C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Dy] | [
4,
3692,
3490,
1464,
2567,
2469,
2391,
2554,
3528,
3808,
2399,
3740,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][N][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][F][=C][Ring1][S][=C][C][=C][N][=C][Branch1][#Branch2][N][C][C][C][C][N][C][Ring1][=Branch1][N][=C][Ring2][Ring1][P][Ring1][=N] | [
4,
2298,
2317,
2307,
1458,
2310,
1447,
1448,
1448,
1457,
2401,
1461,
2408,
3483,
1445,
2561,
2412,
2362,
2303,
2332,
2339,
3510,
2748,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 24 |
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C] | [
4,
2389,
2423,
2337,
2304,
1481,
1445,
1469,
1445,
2317,
1447,
1462,
2411,
2371,
2789,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1] | [
4,
3692,
2335,
1448,
1459,
3549,
2971,
3995,
2407,
3534,
2712,
2435,
2423,
3082,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[O][=C][Branch2][=Branch1][=Branch1][C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Dy] | [
4,
3692,
2511,
2301,
1464,
2524,
2398,
2836,
2736,
2387,
2638,
3377,
2399,
2310,
2492,
2370,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=N] | [
4,
2447,
3391,
2325,
2592,
3138,
3027,
2326,
2400,
3532,
3366,
2435,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2] | [
4,
2389,
2574,
3260,
2401,
2415,
2304,
1446,
2480,
2299,
3027,
2969,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][=C][C][=Branch1][Ring1][=C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][Ring1][C][=C][=C][C][=Branch1][C][=C][C] | [
4,
2317,
1450,
3069,
2298,
1447,
2300,
3923,
2451,
2300,
2302,
2381,
1457,
2487,
2335,
2299,
2329,
1450,
2317,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][O][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][=N][Ring2][Ring1][P] | [
4,
2358,
2515,
2398,
4021,
2770,
3637,
2463,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][C][S][=Branch1][C][=O][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | [
4,
2298,
3675,
2383,
2425,
3371,
3057,
2308,
1475,
2349,
2363,
1457,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | [
4,
2358,
1466,
2299,
2307,
1452,
2298,
2309,
2451,
2811,
1457,
2552,
1446,
2300,
2437,
1451,
1445,
1451,
2353,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | [
4,
3385,
2546,
2589,
3934,
2385,
2710,
1449,
2349,
2363,
1453,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][=C][Branch1][C][Cl][C][N][C][=N][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][N][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][P] | [
4,
2299,
2525,
2390,
3493,
3360,
3179,
2342,
2392,
2409,
2367,
2310,
2539,
2463,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][=C][C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | [
4,
2373,
3402,
2365,
2425,
2731,
2894,
2803,
2418,
2906,
1455,
2519,
2893,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][C][C][=N][O][C][=Ring1][Branch1][=C][C][=N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | [
4,
2298,
2307,
1446,
2341,
2369,
2298,
3433,
2426,
2329,
3169,
2497,
2502,
2325,
2386,
2397,
3252,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][=Branch1][Ring2][=C][C][#N][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C][Ring1][Branch2][Branch1][C][C][C] | [
4,
2298,
2466,
2329,
1472,
2373,
2719,
2302,
3404,
2356,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[O][=C][Branch2][Branch1][Branch1][C][C@@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=N][C][Branch1][#C][N][C][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][O][N][C][C][S][N][=C][C][=Ring1][Branch1][Br][=N][Ring2][Ring1][Branch2][N][Dy] | [
4,
3692,
3331,
1464,
1447,
2545,
1461,
2982,
3433,
1468,
3733,
2500,
3651,
2462,
2426,
1467,
2427,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][N][C][C][N][Branch2][Branch1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][=N] | [
4,
1444,
3405,
3115,
2779,
3722,
2948,
2304,
2843,
2430,
2721,
2331,
2423,
2298,
2396,
2311,
2418,
2298,
2324,
1449,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][=C][C][=C][Branch2][=Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch2][Ring1][P][N][C][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1][=N][Ring2][Ring2][Branch1][C][=C][Ring2][Branch1][C] | [
4,
3338,
2998,
3310,
2331,
2401,
2368,
2898,
2551,
2931,
2356,
3730,
2676,
2299,
1451,
2308,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][#C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Ring2][Ring1][Ring1] | [
4,
2298,
1462,
2358,
2307,
1452,
2523,
2303,
3569,
2949,
2344,
2342,
2437,
1446,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | [
4,
2637,
2538,
2365,
2394,
2455,
2476,
2374,
3184,
3517,
2537,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][O][C][Branch1][C][F][F][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][F] | [
4,
3692,
2650,
2955,
1455,
2408,
2492,
2461,
2315,
1457,
2999,
2497,
2307,
1458,
1448,
2321,
3712,
2523,
2310,
2909,
2575,
1451,
1456,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 24 |
[N][C][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][S][C][Ring2][Ring1][#Branch1] | [
4,
3266,
2307,
2360,
2302,
2310,
1447,
1463,
2519,
3012,
2592,
2315,
2361,
1451,
2336,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C@H1][Branch2][Ring1][Branch2][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | [
4,
2698,
2307,
1452,
1444,
1447,
2300,
2488,
2337,
2332,
2564,
2332,
2564,
2332,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][O][C][=C][C][=C][Branch2][Branch1][N][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][O][C][Branch1][C][C][C][Ring2][Ring2][#Branch2] | [
4,
2499,
2310,
2813,
2476,
2794,
3793,
3336,
1457,
2945,
3495,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][P][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N][=N][Ring2][Ring1][#C] | [
4,
2447,
3485,
2386,
2918,
2327,
2617,
2461,
2713,
2361,
2449,
2541,
1455,
2416,
2418,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][C][=Ring1][S][C][C][C][Ring1][Ring1] | [
4,
3067,
2304,
1464,
1447,
2356,
2303,
2600,
2866,
1447,
2327,
2539,
1445,
2315,
2300,
1468,
1457,
2599,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][C][N][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][O][C][Branch1][C][C][=O][C][Ring1][=C] | [
4,
2667,
2735,
1462,
2415,
2304,
2318,
2732,
1444,
3069,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][=N][Ring2][Ring2][Ring1] | [
4,
3692,
2335,
1448,
1459,
1464,
1447,
1457,
2373,
3006,
3471,
3255,
2680,
2453,
2545,
1445,
3132,
2340,
3496,
2514,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2] | [
4,
2499,
2310,
2307,
1453,
1448,
1448,
1449,
2979,
2303,
2304,
2497,
2406,
2386,
2299,
1451,
2353,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | [
4,
2423,
2318,
2487,
2304,
2369,
2337,
2302,
3101,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][=N][N][C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | [
4,
2944,
2411,
2298,
2634,
1462,
2711,
2536,
2658,
1447,
1457,
2373,
3006,
2363,
1462,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[N][C][=Branch1][C][=O][C][C][C][O][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][Ring2][Ring2][=Branch1] | [
4,
2411,
2337,
2318,
3438,
3398,
3962,
2790,
2493,
2470,
2363,
2360,
3098,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][N][C][=C][Branch2][Branch1][S][C][C@@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][N] | [
4,
1444,
2342,
2330,
2361,
1464,
2517,
2383,
2638,
3979,
2568,
3201,
2916,
2400,
2509,
2401,
2324,
1448,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][=C][C][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][C][Branch1][Branch2][N][C][C][=Branch1][C][=C][Cl][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | [
4,
2825,
1449,
3430,
3859,
2857,
2309,
1450,
2299,
1461,
2528,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][S][N][C][C][C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=N] | [
4,
3650,
2355,
2650,
2519,
2307,
2309,
2307,
1444,
2411,
3544,
3726,
2523,
1453,
2299,
1451,
2332,
2298,
2437,
1449,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][S][=Branch1][C][=O][C][C][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | [
4,
1444,
2415,
2423,
3601,
4014,
2695,
2476,
1465,
2367,
2363,
1457,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][C][Branch1][C][C][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy] | [
4,
2644,
2520,
2971,
3995,
2961,
3274,
2694,
1461,
2708,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][Branch2][Ring2][S][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | [
4,
2298,
3429,
2383,
2452,
2494,
2314,
3587,
3855,
2380,
3717,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[O][=C][C][=C][N][=C][N][Ring1][Branch1][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | [
4,
3692,
2561,
2874,
2329,
3006,
5
] | [
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1
] | 7 |
[C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][S] | [
4,
2423,
2519,
2328,
2329,
2312,
2411,
2497,
3134,
2704,
2715,
1450,
2339,
2401,
2318,
1457,
2437,
2343,
2437,
1457,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][P] | [
4,
2298,
1448,
2953,
2310,
2307,
1444,
1481,
1449,
1469,
1445,
2299,
2521,
2302,
1453,
2592,
2315,
1463,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch2][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][=N][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][N][Dy] | [
4,
3692,
2511,
3484,
2307,
1451,
2381,
2492,
2370,
3072,
2361,
2300,
2786,
3567,
3731,
2332,
2399,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][N][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][Ring1][#C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1] | [
4,
3436,
1447,
2327,
2494,
2329,
3107,
3211,
3293,
1483,
2674,
2344,
2833,
3315,
2377,
2965,
1464,
2368,
2359,
2676,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][N][C][Ring1][=Branch1][C][Branch1][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch1] | [
4,
2337,
2704,
2302,
2337,
2540,
2298,
1448,
2328,
2446,
1444,
2307,
1444,
2303,
3216,
2423,
2303,
2396,
2464,
3828,
2298,
2437,
1462,
2401,
3135,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 26 |
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch2][Ring1][=N][N][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | [
4,
2532,
2711,
2388,
4036,
3701,
1463,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | 8 |
[C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] | [
4,
2550,
2307,
1452,
1444,
2890,
2298,
2861,
2332,
2772,
3233,
2497,
1447,
2355,
2491,
2319,
1462,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][=C][C][N][Branch2][Ring1][=Branch1][C][C][C][C][N][Branch1][Ring2][C][C][=C][C][Branch1][C][O][/C][=C][/C][Branch1][C][C][=O][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=O] | [
4,
2317,
1448,
2307,
1450,
2423,
1448,
2419,
2373,
2535,
1469,
1445,
1469,
2732,
2523,
1469,
1445,
1469,
2732,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][N][C][C][C@@H1][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][N][S+1][Ring1][N][O-1] | [
4,
1444,
3989,
1447,
2519,
2347,
2577,
1448,
1485,
2434,
1470,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[N][C][=Branch1][C][=O][C][=N][N][=C][C][Branch1][Branch1][C][C][C][I][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][N] | [
4,
2600,
2409,
2329,
1447,
2356,
1475,
1445,
2317,
2368,
2815,
1448,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][O][/N][=C][/C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring2][Ring1][O][C][C][C][C][Ring1][Branch1] | [
4,
2499,
1481,
1445,
1469,
2304,
3210,
2779,
1448,
3569,
2331,
2460,
2461,
2337,
2437,
2331,
3963,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][=C][C][Ring2][Ring1][=C][=Ring2][Ring1][#Branch2] | [
4,
2381,
2574,
2397,
2888,
2310,
2307,
1452,
2309,
3392,
2457,
2437,
1446,
2329,
2437,
1445,
1474,
2368,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][Ring2] | [
4,
2358,
2629,
2538,
2398,
2774,
2441,
3596,
2308,
1475,
2454,
2363,
1460,
2560,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C] | [
4,
2354,
2627,
1449,
2349,
2526,
2818,
3354,
2841,
2442,
2347,
2591,
3103,
2621,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[O][=C][Branch2][=Branch1][=N][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][Ring2][Ring2][C][N][Dy] | [
4,
3692,
2511,
2300,
1465,
1447,
3053,
2494,
2526,
2818,
3354,
2841,
2797,
4014,
2621,
1448,
1459,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][O] | [
4,
2337,
2302,
2310,
2347,
2349,
2334,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | 8 |
[C][C][=C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] | [
4,
2343,
2497,
2307,
2301,
2986,
2401,
2401,
1445,
2512,
1451,
2332,
2379,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[O][=C][C][C][C][N][Ring1][Branch1][C][C@H1][Branch1][C][O][C][O] | [
4,
3692,
2739,
2487,
1465,
2512,
1453,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | 8 |
[C][O][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][O][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][F][=C][Ring1][O][=N][Ring2][Ring1][O][C][C][C][Ring2][Ring1][P] | [
4,
2354,
3137,
3616,
3295,
3086,
2392,
3058,
2313,
2949,
3510,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][#C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][N][=O][C][=C][Ring1][#C][N][C][C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][O][C][Ring1][O][=O] | [
4,
2298,
2307,
1460,
2310,
1447,
2361,
2360,
2344,
3873,
3315,
2355,
2412,
2506,
1453,
2318,
2443,
1454,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][Branch1][C][C][C][Branch2][Branch2][Ring2][/C][=C][/C][=Branch2][Branch1][=C][=C][/C][=C][/N][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=N][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][Ring2][=N+1][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring1][=C][=C][Ring2][Ring1][C][Ring2][#Branch1][=Branch1] | [
4,
2298,
2356,
1452,
2328,
1469,
1445,
1469,
1458,
1447,
1445,
1445,
1469,
1445,
1481,
1447,
3223,
2460,
3945,
2350,
2460,
1470,
2329,
2350,
2460,
1453,
2329,
3069,
2575,
2298,
2437,
1449,
2312,
3294,
2307,
2356,
2488,
2905,
2559,
2575,
1451,
1482,
1447,
3223,
2460,
3945,
2350,
2460,
1453,
2329,
2350,
2460,
1453,
2329,
3069,
2575,
1444,
1451,
1455,
1450,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 61 |
[C][C][=C][C][=N][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][S][=C][Ring2][Ring2][#Branch1] | [
4,
2373,
2300,
2507,
2844,
3201,
2916,
2400,
2430,
2658,
2431,
3136,
2448,
3300,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][N][C][C][N][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][=N][C][=C][Branch1][=N][N][Ring1][Branch1][C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][=C][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][P] | [
4,
1444,
3405,
2511,
1455,
2523,
1444,
3183,
2362,
2457,
1447,
3633,
2457,
2874,
2465,
1445,
2377,
2658,
2392,
1464,
2423,
1464,
2332,
2748,
2743,
2298,
2324,
1463,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 29 |
[C][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][#C][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring2][=N] | [
4,
2381,
3438,
3579,
4061,
4059,
2385,
2998,
2571,
2443,
3044,
2350,
2331,
2354,
2340,
2352,
1449,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][=C] | [
4,
2381,
2887,
3514,
2674,
3179,
2327,
2392,
2492,
2815,
2403,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C@][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][C][Branch2][Ring2][N][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][=N][O][Ring2][Ring2][Branch2] | [
4,
1444,
1477,
1447,
1463,
1444,
2684,
2539,
2997,
2298,
2328,
2366,
2304,
1447,
2327,
3142,
2412,
2571,
2302,
1453,
2300,
1451,
2340,
1445,
1451,
2367,
2547,
3219,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 29 |
[C][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | [
4,
2423,
2331,
2941,
2298,
3680,
3068,
1461,
2430,
2658,
2986,
2423,
2298,
2396,
2311,
2435,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][S][S][C][C][N][C][=N][C][Branch2][Ring2][#Branch2][N][C][=N][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring2][=N] | [
4,
3650,
2690,
2305,
2597,
2305,
2457,
2307,
3037,
2327,
2617,
2339,
2437,
3817,
1451,
2336,
3036,
2299,
2840,
2684,
1446,
3061,
2346,
1449,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 25 |
[C][C][N][Branch1][Ring2][C][C][O][C][C][C][C][C][Branch1][C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][=O] | [
4,
2298,
1448,
2419,
2809,
2337,
2719,
2746,
2804,
1446,
1462,
1454,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][N][=C][Branch1][#C][N][C][C][C][=N][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][=N][C][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][=C] | [
4,
2298,
2339,
1447,
1462,
2930,
2953,
2966,
3735,
2300,
2309,
2945,
2336,
2815,
5
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |