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msds_sigma_aldrich

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train · 6.42k rows

SMILES stringlengths 1 1.49k ⌀	cas_nr stringlengths 7 12	h_statements stringlengths 8 136 ⌀	H225 int64 0 1	H226 int64 0 1	H271 int64 0 1	H272 int64 0 1	H290 int64 0 1	H300 int64 0 1	H301 int64 0 1	H302 int64 0 1	H304 int64 0 1	H311 int64 0 1	H312 int64 0 1	H314 int64 0 1	H315 int64 0 1	H317 int64 0 1	H318 int64 0 1	H319 int64 0 1	H330 int64 0 1	H331 int64 0 1	H332 int64 0 1	H335 int64 0 1	H336 int64 0 1	H341 int64 0 1	H350 int64 0 1	H351 int64 0 1	H360 int64 0 1	H361 int64 0 1	H372 int64 0 1	H373 int64 0 1	H400 int64 0 1	H410 int64 0 1	H411 int64 0 1
CC(C)(C)C#C	917-92-0	['H225']	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
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O	1811-31-0	null	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
[Cl-].[K+]	7447-40-7	null	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
COc1ccc(CN)cc1OC	5763-61-1	null	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
CC(O)CNCC(C)O	110-97-4	['H319']	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
[O-][N+](=O)c1ccc(cc1)[S](Cl)(=O)=O	98-74-8	['H314', 'H318']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
[Na+].[O-][Br](=O)=O	7789-38-0	['H271', 'H301', 'H315', 'H319', 'H335']	0	0	1	0	0	0	1	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
c1ccc2c(c1)ccc3c4ccccc4ccc23	218-01-9	['H341', 'H350', 'H400', 'H410']	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	1	0
CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O	526-31-8	['H302', 'H312', 'H332']	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
[K+].CC([O-])=O	127-08-2	null	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
CCCCNCCO	111-75-1	['H302', 'H314', 'H318']	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ONC(=O)c1ccccc1	495-18-1	null	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
Cc1cc(Br)c(C)cc1Br	1074-24-4	['H315', 'H319', 'H335', 'H411']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1
OC(=O)c1cc(O)ccc1O	490-79-9	['H302']	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
C1Cc2cccnc2C1	533-37-9	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
CC(C)=CC(=O)C=C(C)C	504-20-1	null	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
ClCCC(Cl)=O	625-36-5	['H290', 'H302', 'H314', 'H318']	0	0	0	0	1	0	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
OC(=O)c1ccc(\C=C\c2ccc(cc2)C(O)=O)cc1	100-31-2	['H302', 'H315', 'H319', 'H335', 'H411']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1
null	9000-65-1	null	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
Cc1ccc(CN)cc1	104-84-7	['H314', 'H318']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
CO[Si](C)(OC)OC	1185-55-3	['H225']	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
Nc1ccc(\C=C\c2ccc(N)cc2[S](O)(=O)=O)c(c1)[S](O)(=O)=O	81-11-8	['H302']	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
C#CCCCCC#C	871-84-1	['H226', 'H315', 'H319', 'H335']	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
[Zn]	7440-66-6	['H400', 'H410']	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	0
[O--].[O--].[O--].[La+3].[La+3]	1312-81-8	null	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
OC(=O)c1ccc(cc1)N=Nc2ccccc2	1562-93-2	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
[NH4+].[Cl-]	12125-02-9	['H302', 'H319']	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
[F-].[F-].[Mg++]	7783-40-6	['H335']	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
[I-].CCCC[N+](CCCC)(CCCC)CCCC	311-28-4	['H302']	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
CCO[P](=O)(Cc1ccccc1)OCC	1080-32-6	null	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
COC(=O)c1cccc(O)c1	19438-10-9	['H302', 'H315', 'H319', 'H335']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
[F-].[F-].[Pb++]	7783-46-2	['H300', 'H330', 'H350', 'H360', 'H361', 'H373', 'H400', 'H410']	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	1	0	1	1	1	0
O.O.[Cl-].[Cl-].[Ca++]	10035-04-8	['H319']	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
CO[Si](OC)(c1ccccc1)c2ccccc2	6843-66-9	['H315']	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
C[C@H](CCO)CCC=C(C)C	7540-51-4	['H315', 'H317', 'H319']	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
OC(=O)c1cccnc1Cl	2942-59-8	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
[H+].[Cl-].NC(CCCCN=C(N)N)C(O)=O	1483-01-8	null	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
NN=C(N)N.OC(O)=O	2582-30-1	['H317', 'H411']	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
COC(=O)C(F)(F)Cl	1514-87-0	['H225', 'H314', 'H318']	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
OCCNCCNCCO	4439-20-7	['H314', 'H318']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O.O.O.O.O.O.O.[Fe++].[O-][S]([O-])(=O)=O	7782-63-0	['H302', 'H315', 'H319']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
OC(=O)C(F)(F)F	76-05-1	['H314', 'H318', 'H332']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
C1CCCCCCC1	292-64-8	['H226', 'H304']	0	1	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
C=C[Sn](C=C)(C=C)C=C	1112-56-7	['H226', 'H301', 'H311', 'H331']	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
BrCCCCCCCBr	4549-31-9	['H300', 'H411']	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
O.O.O.[Na+].CC([O-])=O	6131-90-4	null	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
OCc1ccccc1I	5159-41-1	null	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
[K+].CCC([O-])=O	327-62-8	['H319']	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
O[13CH2][13CH](O)[13CH](O)[13CH](O)[13CH](O)[13CH]=O	110187-42-3	null	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
C1COCCN1	110-91-8	['H226', 'H302', 'H311', 'H314', 'H318', 'H331', 'H361']	0	1	0	0	0	0	0	1	0	1	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0
CO[Si](CCC(F)(F)F)(OC)OC	429-60-7	['H226', 'H315', 'H319', 'H335']	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
OC(=O)c1ccccc1Cl	118-91-2	['H315', 'H319']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
CCNc1cc(O)ccc1C	120-37-6	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
OC(=O)[C@@H]1C[C@H]1c2ccccc2	939-90-2	null	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
null	109-63-7	['H226', 'H302', 'H314', 'H318', 'H332', 'H372']	0	1	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0
null	9000-69-5	null	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
[OH-].[Mg++].[O-]C([O-])=O	39409-82-0	null	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
CC1=Nc2ccccc2C1(C)C	1640-39-7	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
Brc1cccc(c1)c2ccccc2	2113-57-7	['H350']	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
Nc1cc(Cl)c(Cl)cc1N	5348-42-5	['H302', 'H312', 'H315', 'H319', 'H332', 'H335']	0	0	0	0	0	0	0	1	0	0	1	0	1	0	0	1	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Gd+3]	13450-84-5	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
CCCSCCC	111-47-7	['H226', 'H315', 'H319']	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
CO[Si](CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O)(OC)OC	26115-70-8	['H302', 'H315', 'H319', 'H331']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
NC12CC3CC(CC(C3)C1)C2	768-94-5	['H302', 'H315', 'H319', 'H335']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
Nc1ccc(CC#N)cc1	3544-25-0	['H302', 'H312', 'H332']	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0
[Cs+].[O-][N+]([O-])=O	7789-18-6	['H271', 'H302']	0	0	1	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
O.O.[Na+].[Na+].[O-][W]([O-])(=O)=O	10213-10-2	['H302']	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
[K+].[O-][N+]([O-])=O	7757-79-1	['H272']	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
O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[K+].[O-][S]([O-])(=O)=O.[O-][S]([O-])(=O)=O	7784-24-9	null	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
COc1ccc(Br)cc1OC	2859-78-1	null	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
CN(C)c1cccc2c1cccc2[S](N)(=O)=O	1431-39-6	null	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
[F-].[K+]	7789-23-3	['H301', 'H311', 'H318', 'H331']	0	0	0	0	0	0	1	0	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
S=[Zn]	1314-98-3	null	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
Nc1ccc(Br)cc1	106-40-1	['H302', 'H311', 'H331', 'H373', 'H400', 'H410']	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	1	1	0
[Pd++].CC([O-])=O.CC([O-])=O	3375-31-3	['H317', 'H318', 'H400', 'H410']	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0
[Li+].O.[OH-]	1310-66-3	['H302', 'H314', 'H318']	0	0	0	0	0	0	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O=C1NC=Cc2ccccc12	491-30-5	null	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
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[W].[W].[Bi+3].[Bi+3]	13595-87-4	null	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
null	15696-40-9	['H302', 'H315', 'H319', 'H335']	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
COc1cccc(OC)c1C	5673-07-4	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
[Cl-].[Cl-].[Cl-].[In+3]	10025-82-8	['H314', 'H318', 'H372']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
O.[Na+].[O-][Cl](=O)(=O)=O	7791-07-3	['H271', 'H302', 'H319']	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Oc1ccc(Cc2ccc(O)cc2)cc1	620-92-8	['H315', 'H319', 'H335']	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O	6381-92-6	['H332', 'H373']	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	1	0	0	0
[Fe+3].[Br-].[Br-].[Br-]	10031-26-2	['H290', 'H314', 'H318']	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
CC(=O)Oc1ccc(C)cc1	140-39-6	['H302']	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
CCCCC(C)(C)O	625-23-0	['H226']	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
CI	74-88-4	['H226', 'H301', 'H312', 'H315', 'H319', 'H331', 'H335', 'H351', 'H400', 'H411']	0	1	0	0	0	0	1	0	0	0	1	0	1	0	0	1	0	1	0	1	0	0	0	1	0	0	0	0	1	0	1
OC(=O)\C=C\C(O)=O	110-17-8	['H319']	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
CC(C)OC=O	625-55-8	['H225', 'H315', 'H319', 'H335', 'H336']	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0
CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F	3109-63-5	null	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
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	57-50-1	null	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
CC1=CC(=O)C=C(C)O1	1004-36-0	['H302']	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
COCOC	109-87-5	['H225']	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
CCOCCOC(C)=O	111-15-9	['H226', 'H302', 'H312', 'H332', 'H360']	0	1	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0
Cc1cc(O)cc(C)c1Cl	88-04-0	['H302', 'H315', 'H317', 'H319']	0	0	0	0	0	0	0	1	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cc1ccc(N)cc1Cl	95-74-9	['H301', 'H311', 'H315', 'H317', 'H319', 'H400', 'H410']	0	0	0	0	0	0	1	0	0	1	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0
C[NH+]1C(C)(C)CCCC1(C)C	79-55-0	['H226', 'H301', 'H315', 'H319', 'H335']	0	1	0	0	0	0	1	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
Cc1ccc(cc1)[Si](Cl)(Cl)Cl	701-35-9	['H314', 'H318']	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
OC(=O)c1ccc(cc1O)C(F)(F)F	328-90-5	['H301', 'H315', 'H318']	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

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