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3.57k
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CC6.O67.C7CCN=C(N4N3.C4C5=O.N5(C)C.C13CCc2ncnn2C1.I | [
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CN1CCC4C1.O43.c13ccncc1N=C(O)C(C(=N)N)=C1N=CC(F)=CN1 | [
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24,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
OC4.c14cc2c3ccc(I)c2s1.C3Cl | [
337.90291155600005,
0.2,
1,
1,
2,
4,
14,
2,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO8.c18cc9cc%10c1.C6%10.C16CN7C1.C75=O.c15ccc4s1.C4(=O)O.O9C | [
361.098393708,
0.3333333333333333,
6,
1,
3,
7,
25,
6,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] |
NC(CC2=O)C(=O)O.c12cccnc1 | [
194.06914218,
0.2222222222222222,
5,
3,
1,
5,
14,
4,
0,
0,
0,
0,
0,
1,
1,
0,
0,
0
] |
CC1CC2CN13.C2N.c13cccc(C#N)c1[N+](=O)[O-] | [
260.127325752,
0.46153846153846156,
6,
2,
2,
6,
19,
3,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] |
CO7.c17ccccc12.N2C(=N)N3.C34.c14cccc6n1.O56.C5C(F)F.I | [
464.052080288,
0.25,
6,
3,
2,
9,
25,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CCC3.c13ccc(O)cc12.C2(C)(C)C | [
192.15141526,
0.5384615384615384,
1,
1,
1,
1,
14,
2,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
CN3.C324.c14occc1Br.C12(C)CCCCO1 | [
287.052090916,
0.6666666666666666,
3,
1,
2,
4,
16,
3,
0,
0,
1,
1,
0,
1,
1,
0,
1,
1
] |
CC4.N42.C253.c15ccc(C)cc1F.c13cc(C)sc1C | [
277.13004886,
0.375,
1,
1,
2,
3,
19,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CO7.c17ccc2ncc(F)c5c2c1.[C@H]5(O)CC6.C196CCN8CC1.C9(=O)O.C8C#Cc1cc(F)cc(F)c1F | [
530.182870192,
0.35714285714285715,
6,
2,
4,
10,
38,
7,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
CCC4C#N.N14CCN3CC1.c13cccc(C)n1 | [
244.16879663999998,
0.5714285714285714,
4,
0,
2,
4,
18,
3,
0,
0,
1,
1,
0,
1,
1,
0,
1,
1
] |
CO5.c15cc4c(C2c3ccccc3Oc3ccccc32)c6c1.O4C.O6C | [
348.13615911999995,
0.18181818181818182,
4,
0,
4,
4,
26,
4,
0,
0,
1,
1,
3,
0,
3,
0,
0,
0
] |
CO3.C3C2C.N52C.C57=O.N79.c19ccc4cc1.C84=O.N86.C6C(F)(F)F | [
347.14567616,
0.4666666666666667,
6,
2,
1,
9,
24,
6,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
CC5.N563.C6C.c13ccc(C=Nc2cccc(S4(=O)=O)c2)c(O)c1.N74.C7(C)(C)C | [
403.192962788,
0.38095238095238093,
6,
2,
2,
7,
28,
7,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC1CBr.O1C(=N)O | [
180.973840596,
0.75,
3,
2,
0,
4,
8,
2,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
Cc1sc2ncn9c(=O)c2c1C.C9CC7=O.N17CCN8CC1.C86.c16ccc5cc1.C5(C)C | [
452.22459726399995,
0.48,
6,
0,
4,
7,
32,
6,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
O=C(O)[C@@H]6C4.c14ccc%10cc1.n1%10c9nc2cccnc21.C95.C15CC1.N6C1=C(Br)C(=O)C12CCN8CC2.C87.c17ccccc1 | [
639.1845020480001,
0.35294117647058826,
8,
2,
7,
9,
43,
10,
0,
2,
1,
3,
2,
2,
4,
1,
1,
2
] |
C[C@H]1CCN4c2ccccc2S1.C4(=O)C3.[C@H]13C=CCC1 | [
287.13438529200005,
0.47058823529411764,
2,
0,
3,
3,
20,
2,
0,
1,
1,
2,
1,
0,
1,
0,
0,
0
] |
CO7.C7C4.c14ccc8cc1.O68.C6(=O)[C@@H]5CC(C)C.N15C(=O)[C@H]2CC=CC[C@H]2C1=O | [
399.20457302799997,
0.5217391304347826,
6,
0,
3,
6,
29,
8,
0,
1,
1,
2,
1,
0,
1,
0,
1,
1
] |
Cc1ccc3cc1.C43.n14nccc16.N56.C57=O.c17csc(S(N)(=O)=O)c1 | [
376.06638237199996,
0.125,
7,
3,
3,
9,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CS4.c14nc5cc(Cl)n1.N15C[C@H]2CC[C@@H](C1)N27.C67=O.O68.C8(C)(C)C | [
370.123024656,
0.6875,
6,
0,
3,
8,
24,
2,
0,
0,
2,
2,
0,
1,
1,
0,
2,
2
] |
O=C%156.O%15%16.c1%16cc(O)c2c(c1)OC%22C%10C2=O.c1%22ccc8cc1.O%218.C%215.c15ccccc1.c1%10c%14cc(O)c2c1OC%20CC2=O.O%13%14.C%137.c17ccccc1.c1%20ccc%18c%12c1.O%19%18.C%199=O.c19ccccc1.O%11%12.C%11%17.c1%17ccccc1.c16ccccc1 | [
1036.3094915960003,
0.1076923076923077,
13,
2,
11,
13,
78,
16,
0,
0,
2,
2,
9,
0,
9,
0,
0,
0
] |
Cc1cccc4c1.c14nc8nn15.C68=O.N67.c17cc(C)ccc1C.c15ccccc1C | [
396.195011388,
0.16,
5,
1,
4,
5,
30,
4,
0,
0,
0,
0,
3,
1,
4,
0,
0,
0
] |
CO3.C13CCCC2(C)C(C(C)CC#CC(C)(C)O)=CCC12 | [
290.2245802,
0.7894736842105263,
2,
1,
2,
2,
21,
3,
0,
2,
0,
2,
0,
0,
0,
1,
0,
1
] |
O=C(O)CC7.c17ccccc14.C54.N15CCCC13.c13nc(C(O)=NCCCC6co1.C16CCCCC1 | [
481.294056728,
0.6071428571428571,
7,
2,
4,
7,
35,
12,
0,
1,
1,
2,
1,
1,
2,
1,
1,
2
] |
C=CC=2.C=2C=4O3.C=4C.C13CCOC1=O.CC | [
224.1412445,
0.46153846153846156,
3,
0,
1,
3,
16,
4,
0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] |
Cc1ccc2c(c1C)CCN[C@H]23.c13nn(C)c2ccccc12 | [
291.17354767200004,
0.3157894736842105,
3,
1,
4,
3,
22,
1,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
OC(=Nc1cccc4c1)c1cc2ccccc2s1.c14cn2cc5cc(Cl)c2n1.C5(F)(F)F | [
471.04199537600005,
0.043478260869565216,
4,
1,
5,
9,
32,
3,
0,
0,
0,
0,
2,
3,
5,
0,
0,
0
] |
CC6=O.O65.C5C7=O.[C@]17(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C | [
418.235538808,
0.7916666666666666,
6,
2,
4,
6,
30,
3,
0,
4,
0,
4,
0,
0,
0,
3,
0,
3
] |
CC3.n13c9nnc1O.S49.C4C5=O.N58C.C86.c16ccc2cc7ccc2c1.O7C | [
386.14126156399993,
0.3157894736842105,
7,
1,
3,
8,
27,
7,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CO3.c13cc(F)ccc14.[C@H]24[C@@H]6C.C12CCCCC1.O56.C5(=O)[C@H](C)N=C(O)O7.C7(C)(C)C | [
437.25775147199994,
0.6666666666666666,
6,
1,
2,
7,
31,
7,
0,
1,
0,
1,
1,
0,
1,
1,
0,
1
] |
CC%10(C)C.c1%10ccc6cc1.C6(=O)C9.O79.C7(=O)C4C5.c15ccccc1.N84.C83=O.c13ccco1 | [
433.18892296399997,
0.2692307692307692,
6,
1,
3,
6,
32,
8,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CO6.c16cc(C=8c5cc17.C=8(C#N)c1nc4cs1.c14ccncc1.S5C.O7C | [
395.076218784,
0.15,
5,
0,
3,
7,
27,
6,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CN/C=C\C(=N)N=C(O)c1cc8cc3c1.O84.c14ccc5cc1.C5(=O)O.O63.C6(C)C7.O7C | [
427.17433551999994,
0.22727272727272727,
9,
4,
2,
9,
31,
10,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC(C)C6.c16ccc%10cc1.C4%10(C)C(=O)O.N843.C78=O.O79.C95.c15ccccc1.C3(C)C | [
397.225308472,
0.4166666666666667,
5,
1,
2,
5,
29,
8,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CO6.c16nc%10c[nH]c1=NS(=O)(=O)c1cccc(Cl)c1Cl.S9%10.C9C3O.c13ccccn1.CO8.c18nc5c[nH]c1=NS(=O)(=O)c1cccc(Cl)c1Cl.S45.C4C7O.c17ccncc1 | [
971.9980047040001,
0.16666666666666666,
16,
4,
6,
24,
60,
14,
0,
0,
0,
0,
2,
4,
6,
0,
0,
0
] |
C=C[C@@](C)(O)C4.N436.C3C7.O7C.C65.c15c%11[nH+]n8c19.C%11C.c18ccccc1.O9%10.c1%10cccc(F)c1 | [
454.25004655609,
0.34615384615384615,
6,
2,
3,
7,
33,
12,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CCC2.C2C1=S(=O)=O.C1C | [
162.071450688,
0.8571428571428571,
2,
0,
0,
3,
10,
4,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
CS3.c13cc(C)ccc14.C4N=C(O)N1C2CCC1CC(O)C2 | [
320.15584900799996,
0.5882352941176471,
4,
2,
3,
5,
22,
3,
0,
0,
2,
2,
1,
0,
1,
0,
2,
2
] |
Cc1cc(C)n4n1.C4CCN=C(O)C1CCN5CC1.S5(=O)(=O)c1cccs1 | [
410.14463269199996,
0.5555555555555556,
7,
1,
3,
9,
27,
7,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
Cc1cc8c(C)[nH]1.C8(=O)C6.S64.c14ncc7n19.c17ccccc1.C95.[C@H]15CCCO1 | [
395.16674804,
0.36363636363636365,
5,
1,
4,
6,
28,
7,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
CO2.c12ccc(Cl)cc1N=C(O)N1CCCC(C)CC1 | [
296.129155592,
0.5333333333333333,
4,
1,
2,
5,
20,
2,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] |
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