index int64 0 2.04k | text stringlengths 3 199 | label int64 0 1 |
|---|---|---|
0 | [Cl].CC(C)NCC(O)COc1cccc2ccccc12 | 1 |
1 | C(=O)(OC(C)(C)C)CCCc1ccc(cc1)N(CCCl)CCCl | 1 |
2 | c12c3c(N4CCN(C)CC4)c(F)cc1c(c(C(O)=O)cn2C(C)CO3)=O | 1 |
3 | C1CCN(CC1)Cc1cccc(c1)OCCCNC(=O)C | 1 |
4 | Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(O)=O | 1 |
8 | COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O | 1 |
9 | NC(N)=NC(=O)c1nc(Cl)c(N)nc1N | 1 |
10 | OCC(C)(O)c1onc(c2ncn3c2CN(C)C(c4c3cccc4Cl)=O)n1 | 0 |
11 | CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O | 1 |
12 | C(Cl)Cl | 1 |
13 | C1N(C(CC2CCCCC12)C(NC(C)(C)C)=O)CC(C(Cc1ccccc1)NC(C(NC(c1nc2c(cccc2)cc1)=O)CC(N)=O)=O)O | 1 |
14 | CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 | 1 |
15 | CCN1N=NN(CCN2CCC(CC2)(COC)N(C(=O)CC)c3ccccc3)C1=O | 1 |
16 | CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 | 1 |
17 | CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c3ccccc3 | 1 |
20 | CCCC(C)C | 1 |
21 | C[C@H](N)Cc1ccccc1 | 1 |
22 | c1cc2c(cc(CC3=CNC(=NC3=O)NCCSCc3oc(cc3)CN(C)C)cc2)cc1 | 0 |
23 | CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 | 1 |
25 | CCNC(=NC#N)NCCSCc1c(cccn1)Br | 0 |
26 | CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3 | 1 |
28 | FC(F)(F)c1c(Cl)nc(N2CCNCC2)cc1 | 1 |
30 | CCCC(C)C1(CC)C(=O)NC(=O)NC1=O | 1 |
31 | C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O | 1 |
32 | c1ccc(C(NCCCOc2cc(CN3CCCCC3)ccc2)=O)cc1 | 1 |
33 | CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C | 1 |
34 | CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3 | 1 |
35 | CCOC(=O)c1cncn1C(C)c2ccccc2 | 1 |
37 | CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 | 1 |
39 | O=C(C)Nc1cc(c2csc(N=C(N)N)n2)ccc1 | 0 |
41 | C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl | 1 |
42 | c1ccc(cc1)c1csc(n1)N=C(N)N | 1 |
43 | CC(N)COc1c(C)cccc1C | 1 |
44 | CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2 | 1 |
45 | ClC1=CC=C(C2=C1)SC3=C(N2CCCNC)C=CC=C3 | 1 |
47 | Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O | 1 |
48 | n(ccc1)c(c1)CCN(C)C | 1 |
49 | O=C1N(CCC1)CCCCN2CCN(CC2)c3cc(C(F)(F)F)ccn3 | 1 |
50 | COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 | 1 |
51 | c1(ccccc1)CC | 1 |
52 | c1ccc(cc1N)c1csc(n1)N=C(N)N | 1 |
53 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1 | 1 |
54 | c1(c(cc(NC(CCC)=O)cc1)C(C)=O)OCC(CNC(C)C)O | 1 |
55 | ClC1=CC=C(SC(C=CC=C2)=C2N3CCCN)C3=C1 | 1 |
57 | CNC(=NC#N)Nc1cccc(c1)c1csc(n1)N=C(N)N | 0 |
58 | n(ccc1)c(c1)CCNC | 1 |
59 | [Cl-].CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13.[H+] | 1 |
60 | CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1 | 1 |
61 | CCC(NC(=O)c1c(c(nc2c1cccc2)c1ccccc1)C)c1ccccc1 | 1 |
64 | CNCCCC12CCC(c3ccccc13)c4ccccc24 | 1 |
65 | N1(Cc2cc(OCCCNc3nccs3)ccc2)CCCCC1 | 1 |
66 | OC(C)(C)c1onc(c2ncn3c2CN(C)C(c4c3cccc4Cl)=O)n1 | 0 |
67 | [Na+].CO\N=C(C(=O)N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C([O-])=O)COC(C)=O)\c3csc(N)n3 | 1 |
68 | C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N | 1 |
69 | C1CCCCC1 | 1 |
70 | Cc1csc(n1)N=C(N)N | 1 |
71 | CCCN(CCc1c2c(c(cc1)O)NC(=O)C2)CCC | 1 |
72 | Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1 | 1 |
74 | CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)/c3occc3 | 1 |
75 | N1(Cc2cc(OCCCNc3oc4ccccc4n3)ccc2)CCCCC1 | 1 |
76 | OC12c3c(Oc4c(C)cccc4C2CN(CC1)C)cccc3 | 1 |
77 | [O-][N+](C1=CC=NC1NCCSCc2ccccn2)=O | 1 |
78 | c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2 | 1 |
79 | c1cccn2c1nc(c2)CCN | 0 |
80 | Cc1ncc(n1CC(O)CCl)[N+]([O-])=O | 1 |
81 | CCCN(CCc1c2c(ccc1)NC(=O)C2)CCC | 1 |
82 | Clc1cc2c(Oc3ccccc3C3CNCC32)cc1 | 1 |
83 | CN(CCC=C1c2ccccc2CCc2ccccc12)C | 1 |
85 | N1(Cc2cccc(OCCCNc3ccccn3)c2)CCCCC1 | 1 |
86 | OC12c3c(Oc4c(C)cccc4C2CNCC1)cccc3 | 1 |
87 | [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O | 1 |
88 | c12c3c(C(NC(C)=O)CCc2cc(c(c1OC)OC)OC)cc(=O)c(cc3)OC | 1 |
89 | C1CCN(CC1)Cc1cc(OCCCO)ccc1 | 1 |
90 | Cc1ncsc1CCCl | 1 |
91 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O | 1 |
92 | ClCC(F)(F)F | 1 |
93 | CN1C(=O)c2c(cccc2Cl)n2cnc(c2C1)c1noc(n1)C(C)C | 1 |
94 | CO[C@]1(NC(=O)Cc2sccc2)[C@H]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O | 1 |
95 | NC(CC=C)c1ccccc1c2noc3c2cccc3 | 1 |
96 | OC1C(N2CCC1)=NC(C)=C(CCN3CCC(CC3)c4c5ccc(F)cc5on4)C2=O | 1 |
97 | CC(=O)Nc1ccc(O)cc1 | 1 |
98 | CC(=O)Oc1ccccc1C(O)=O | 0 |
103 | O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O | 0 |
104 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O | 0 |
105 | C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 0 |
107 | OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O | 1 |
109 | COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O | 1 |
110 | CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35 | 1 |
112 | NC1=NC(=O)C(O1)c2ccccc2 | 1 |
113 | C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C | 1 |
114 | CCc1cc(ccn1)C(N)=S | 1 |
116 | NC(N)=Nc1scc(CSCCC(N)=N[S](N)(=O)=O)n1 | 1 |
118 | [Na+].[Na+].[Na+].[O-]C(=O)[P]([O-])([O-])=O | 1 |
119 | NCC1(CCCCC1)CC(O)=O | 1 |
124 | CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 | 0 |
125 | [Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O.[H+] | 0 |
126 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
127 | CC1(C)S[C@@H]2[C@H](NC(=O)C(C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O | 0 |
128 | C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O | 0 |
130 | [Na+].Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C([O-])=O)nn1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.